diff --git a/Hydrogen/Asaba_1965_ST_fig_6_fcircle.yaml b/Hydrogen/Asaba_1965_ST_fig_6_fcircle.yaml new file mode 100644 index 0000000..ae274c8 --- /dev/null +++ b/Hydrogen/Asaba_1965_ST_fig_6_fcircle.yaml @@ -0,0 +1,139 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/S0082-0784(65)80175-8 + authors: + - name: T. Asaba + - name: W.C.Jr. Gardiner + - name: R.F. Stubbeman + journal: Symposium (International) on Combustion + year: 1965 + volume: 10 + pages: 295-302 + detail: Fig.6. - full circle [Converted from ReSpecTh XML file x10000027_x.xml] +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: University of Texas, Austin TX + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.01 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.03 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.96 + ignition-type: &ign + target: OH + type: max +datapoints: + - temperature: + - 2258 K + ignition-delay: + - 18.6 us + pressure: + - 0.399 atm + composition: *comp + ignition-type: *ign + - temperature: + - 2278 K + ignition-delay: + - 26.7 us + pressure: + - 0.403 atm + composition: *comp + ignition-type: *ign + - temperature: + - 2320 K + ignition-delay: + - 29.9 us + pressure: + - 0.412 atm + composition: *comp + ignition-type: *ign + - temperature: + - 2074 K + ignition-delay: + - 49.7 us + pressure: + - 0.362 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1929 K + ignition-delay: + - 34.3 us + pressure: + - 0.334 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1838 K + ignition-delay: + - 63.7 us + pressure: + - 0.315 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1736 K + ignition-delay: + - 74 us + pressure: + - 0.295 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1745 K + ignition-delay: + - 93.3 us + pressure: + - 0.297 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1572 K + ignition-delay: + - 111.7 us + pressure: + - 0.262 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1604 K + ignition-delay: + - 144.8 us + pressure: + - 0.269 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1605 K + ignition-delay: + - 164.4 us + pressure: + - 0.269 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1428 K + ignition-delay: + - 215.7 us + pressure: + - 0.233 atm + composition: *comp + ignition-type: *ign + \ No newline at end of file diff --git a/Hydrogen/Asaba_1965_ST_fig_6_frectangle.yaml b/Hydrogen/Asaba_1965_ST_fig_6_frectangle.yaml new file mode 100644 index 0000000..657cd9a --- /dev/null +++ b/Hydrogen/Asaba_1965_ST_fig_6_frectangle.yaml @@ -0,0 +1,123 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/S0082-0784(65)80175-8 + authors: + - name: T. Asaba + - name: W.C.Jr. Gardiner + - name: R.F. Stubbeman + journal: Symposium (International) on Combustion + year: 1965 + volume: 10 + pages: 295-302 + detail: Fig.6.- full rectangle [Converted from ReSpecTh XML file x10000029_x.xml] +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: University of Texas, Austin TX + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.03 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.01 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.96 + ignition-type: &ign + target: OH + type: max +datapoints: + - temperature: + - 2352 K + ignition-delay: + - 22.4 us + pressure: + - 0.418 atm + composition: *comp + ignition-type: *ign + - temperature: + - 2423 K + ignition-delay: + - 31.8 us + pressure: + - 0.432 atm + composition: *comp + ignition-type: *ign + - temperature: + - 2313 K + ignition-delay: + - 38.5 us + pressure: + - 0.41 atm + composition: *comp + ignition-type: *ign + - temperature: + - 2115 K + ignition-delay: + - 34.5 us + pressure: + - 0.371 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1896 K + ignition-delay: + - 73.4 us + pressure: + - 0.327 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1735 K + ignition-delay: + - 92.8 us + pressure: + - 0.295 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1726 K + ignition-delay: + - 135.7 us + pressure: + - 0.293 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1646 K + ignition-delay: + - 115.6 us + pressure: + - 0.277 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1574 K + ignition-delay: + - 226 us + pressure: + - 0.262 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1480 K + ignition-delay: + - 281.7 us + pressure: + - 0.243 atm + composition: *comp + ignition-type: *ign + \ No newline at end of file diff --git a/Hydrogen/Asaba_1965_ST_fig_6_ocircle.yaml b/Hydrogen/Asaba_1965_ST_fig_6_ocircle.yaml new file mode 100644 index 0000000..3bf5602 --- /dev/null +++ b/Hydrogen/Asaba_1965_ST_fig_6_ocircle.yaml @@ -0,0 +1,163 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/S0082-0784(65)80175-8 + authors: + - name: T. Asaba + - name: W.C.Jr. Gardiner + - name: R.F. Stubbeman + journal: Symposium (International) on Combustion + year: 1965 + volume: 10 + pages: 295-302 + detail: Fig.6.- open circle [Converted from ReSpecTh XML file x10000028.xml] +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: University of Texas, Austin TX + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.01 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.01 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.98 + ignition-type: &ign + target: OH + type: max +datapoints: + - temperature: + - 2554 K + ignition-delay: + - 29.1 us + pressure: + - 0.46 atm + composition: *comp + ignition-type: *ign + - temperature: + - 2420 K + ignition-delay: + - 39.5 us + pressure: + - 0.433 atm + composition: *comp + ignition-type: *ign + - temperature: + - 2364 K + ignition-delay: + - 73 us + pressure: + - 0.422 atm + composition: *comp + ignition-type: *ign + - temperature: + - 2287 K + ignition-delay: + - 83.6 us + pressure: + - 0.407 atm + composition: *comp + ignition-type: *ign + - temperature: + - 2231 K + ignition-delay: + - 89.8 us + pressure: + - 0.396 atm + composition: *comp + ignition-type: *ign + - temperature: + - 2067 K + ignition-delay: + - 93.4 us + pressure: + - 0.363 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1981 K + ignition-delay: + - 69.7 us + pressure: + - 0.346 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1794 K + ignition-delay: + - 117.2 us + pressure: + - 0.308 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1770 K + ignition-delay: + - 136 us + pressure: + - 0.303 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1738 K + ignition-delay: + - 224.5 us + pressure: + - 0.297 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1681 K + ignition-delay: + - 250.1 us + pressure: + - 0.286 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1653 K + ignition-delay: + - 272.5 us + pressure: + - 0.28 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1633 K + ignition-delay: + - 230.4 us + pressure: + - 0.276 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1615 K + ignition-delay: + - 261.7 us + pressure: + - 0.272 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1602 K + ignition-delay: + - 287 us + pressure: + - 0.27 atm + composition: *comp + ignition-type: *ign + \ No newline at end of file diff --git a/Hydrogen/Bhaskaran_1973_ST_phi_1.yaml b/Hydrogen/Bhaskaran_1973_ST_phi_1.yaml new file mode 100644 index 0000000..b3624e0 --- /dev/null +++ b/Hydrogen/Bhaskaran_1973_ST_phi_1.yaml @@ -0,0 +1,143 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/0010-2180(73)90005-9 + authors: + - name: K.A. Bhaskaran + - name: M.C. Gupta + - name: T.H. Just + journal: Combustion and Flame + year: 1973 + volume: 21 + pages: 45-48 + detail: Fig.4. -open circle [Converted from ReSpecTh XML file x10000020.xml] +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Dept. of Mechanical Engineering, I.I.T., Madras, India + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.2959 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.1479 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.5562 + pressure: &pres + - 2.5 atm + ignition-type: &ign + target: pressure + type: d/dt max +datapoints: + - temperature: + - 1323 K + ignition-delay: + - 10.1 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1289 K + ignition-delay: + - 12.5 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1268 K + ignition-delay: + - 12.8 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1258 K + ignition-delay: + - 12.1 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1232 K + ignition-delay: + - 15 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1200 K + ignition-delay: + - 18.1 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1180 K + ignition-delay: + - 21 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1171 K + ignition-delay: + - 21.8 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1116 K + ignition-delay: + - 35.5 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1098 K + ignition-delay: + - 44.9 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1081 K + ignition-delay: + - 64.4 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1077 K + ignition-delay: + - 58.2 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1067 K + ignition-delay: + - 86.1 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1038 K + ignition-delay: + - 191.6 us + composition: *comp + pressure: *pres + ignition-type: *ign + \ No newline at end of file diff --git a/Hydrogen/Chaumeix_2007_ST_mix_S1.yaml b/Hydrogen/Chaumeix_2007_ST_mix_S1.yaml new file mode 100644 index 0000000..1b97e53 --- /dev/null +++ b/Hydrogen/Chaumeix_2007_ST_mix_S1.yaml @@ -0,0 +1,98 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2007.04.008 + authors: + - name: N. Chaumeix + - name: S. Pichon + - name: F. Lafosse + - name: C. Paillard + journal: International Journal of Hydrogen Energy + year: 2007 + volume: 32 + pages: 2216-2226 + detail: Fig.12, left, open diamond +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: University of Orleans, France + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.00444 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.00556 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.99 + pressure: &pres + - 210 kPa + - uncertainty-type: absolute + uncertainty: 30 kPa + ignition-type: &ign + target: OH + type: 1/2 max +datapoints: + - temperature: + - 1164.48 K + - uncertainty-type: relative + uncertainty: 0.01 + ignition-delay: + - 471.54 us + composition: *comp + pressure: *pres + ignition-type: *ign + equivalence-ratio: 0.4 + - temperature: + - 1164.97 K + - uncertainty-type: relative + uncertainty: 0.01 + ignition-delay: + - 448.03 us + composition: *comp + pressure: *pres + ignition-type: *ign + equivalence-ratio: 0.4 + - temperature: + - 1264.2 K + - uncertainty-type: relative + uncertainty: 0.01 + ignition-delay: + - 291.57 us + composition: *comp + pressure: *pres + ignition-type: *ign + equivalence-ratio: 0.4 + - temperature: + - 1332.57 K + - uncertainty-type: relative + uncertainty: 0.01 + ignition-delay: + - 205.93 us + composition: *comp + pressure: *pres + ignition-type: *ign + equivalence-ratio: 0.4 + - temperature: + - 1519.18 K + - uncertainty-type: relative + uncertainty: 0.01 + ignition-delay: + - 88.11 us + composition: *comp + pressure: *pres + ignition-type: *ign + equivalence-ratio: 0.4 + diff --git a/Hydrogen/Chaumeix_2007_ST_mix_S2.yaml b/Hydrogen/Chaumeix_2007_ST_mix_S2.yaml new file mode 100644 index 0000000..60fc77c --- /dev/null +++ b/Hydrogen/Chaumeix_2007_ST_mix_S2.yaml @@ -0,0 +1,98 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2007.04.008 + authors: + - name: N. Chaumeix + - name: S. Pichon + - name: F. Lafosse + - name: C. Paillard + journal: International Journal of Hydrogen Energy + year: 2007 + volume: 32 + pages: 2216-2226 + detail: Fig.12, *, open diamond +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: University of Orleans, France + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.006 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.004 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.99 + pressure: &pres + - 213 kPa + - uncertainty-type: absolute + uncertainty: 17 kPa + ignition-type: &ign + target: OH + type: 1/2 max +datapoints: + - temperature: + - 1184.03 K + - uncertainty-type: relative + uncertainty: 0.01 + ignition-delay: + - 474.88 us + composition: *comp + pressure: *pres + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 1192.46 K + - uncertainty-type: relative + uncertainty: 0.01 + ignition-delay: + - 464.16 us + composition: *comp + pressure: *pres + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 1215.44 K + - uncertainty-type: relative + uncertainty: 0.01 + ignition-delay: + - 415.96 us + composition: *comp + pressure: *pres + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 1252.51 K + - uncertainty-type: relative + uncertainty: 0.01 + ignition-delay: + - 331.01 us + composition: *comp + pressure: *pres + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 1359.29 K + - uncertainty-type: relative + uncertainty: 0.01 + ignition-delay: + - 199.34 us + composition: *comp + pressure: *pres + ignition-type: *ign + equivalence-ratio: 0.75 + diff --git a/Hydrogen/Chaumeix_2007_ST_mix_S3.yaml b/Hydrogen/Chaumeix_2007_ST_mix_S3.yaml new file mode 100644 index 0000000..106b364 --- /dev/null +++ b/Hydrogen/Chaumeix_2007_ST_mix_S3.yaml @@ -0,0 +1,118 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2007.04.008 + authors: + - name: N. Chaumeix + - name: S. Pichon + - name: F. Lafosse + - name: C. Paillard + journal: International Journal of Hydrogen Energy + year: 2007 + volume: 32 + pages: 2216-2226 + detail: Fig.12, *, open diamond +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: University of Orleans, France + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.00667 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.00333 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.99 + pressure: &pres + - 220 kPa + - uncertainty-type: absolute + uncertainty: 10 kPa + ignition-type: &ign + target: OH + type: 1/2 max +datapoints: + - temperature: + - 1181.06 K + - uncertainty-type: relative + uncertainty: 0.01 + ignition-delay: + - 560.39 us + composition: *comp + pressure: *pres + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1214.82 K + - uncertainty-type: relative + uncertainty: 0.01 + ignition-delay: + - 367.61 us + composition: *comp + pressure: *pres + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1260.08 K + - uncertainty-type: relative + uncertainty: 0.01 + ignition-delay: + - 388.63 us + composition: *comp + pressure: *pres + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1272.78 K + - uncertainty-type: relative + uncertainty: 0.01 + ignition-delay: + - 314.04 us + composition: *comp + pressure: *pres + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1295.84 K + - uncertainty-type: relative + uncertainty: 0.01 + ignition-delay: + - 339.77 us + composition: *comp + pressure: *pres + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1321.77 K + - uncertainty-type: relative + uncertainty: 0.01 + ignition-delay: + - 286.25 us + composition: *comp + pressure: *pres + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1343.27 K + - uncertainty-type: relative + uncertainty: 0.01 + ignition-delay: + - 268.27 us + composition: *comp + pressure: *pres + ignition-type: *ign + equivalence-ratio: 1.0 + diff --git a/Hydrogen/Cheng_1984_ST_mix10_phi_1.yaml b/Hydrogen/Cheng_1984_ST_mix10_phi_1.yaml new file mode 100644 index 0000000..6b70cb8 --- /dev/null +++ b/Hydrogen/Cheng_1984_ST_mix10_phi_1.yaml @@ -0,0 +1,669 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/0010-2180(84)90088-9 + authors: + - name: R.K. Cheng + - name: A.K. Oppenheim + journal: Combustion and Flame + year: 1984 + volume: 58 + pages: 125-139 + detail: Figure 4 open triangle , optained from https://cloudflame.kaust.edu.sa/doidata/display/56 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: University of California Berkeley + facility: aluminum shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.0667 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0333 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.9 + ignition-type: &ign + target: pressure + type: d/dt max +datapoints: + - temperature: + - 1281.0 K + ignition-delay: + - 52.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.393 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1427.0 K + ignition-delay: + - 28.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.896 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1277.0 K + ignition-delay: + - 62.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.395 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1202.0 K + ignition-delay: + - 90.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.159 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1051.0 K + ignition-delay: + - 233.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.729 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1184.0 K + ignition-delay: + - 65.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.007 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1228.0 K + ignition-delay: + - 72.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.139 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1209.0 K + ignition-delay: + - 72.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.078 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1364.0 K + ignition-delay: + - 25.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.531 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1117.0 K + ignition-delay: + - 157.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.723 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1257.0 K + ignition-delay: + - 60.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.101 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1066.0 K + ignition-delay: + - 158.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.59 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1271.0 K + ignition-delay: + - 62.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.145 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1146.0 K + ignition-delay: + - 118.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.807 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1117.0 K + ignition-delay: + - 145.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.631 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1146.0 K + ignition-delay: + - 128.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.701 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1242.0 K + ignition-delay: + - 75.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.961 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1318.0 K + ignition-delay: + - 45.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.162 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1152.0 K + ignition-delay: + - 115.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.618 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1252.0 K + ignition-delay: + - 72.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.864 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1293.0 K + ignition-delay: + - 57.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.966 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1272.0 K + ignition-delay: + - 67.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.92 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1264.0 K + ignition-delay: + - 75.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.785 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1111.0 K + ignition-delay: + - 175.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.435 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1199.0 K + ignition-delay: + - 90.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.636 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1184.0 K + ignition-delay: + - 86.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.596 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1227.0 K + ignition-delay: + - 62.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.701 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1293.0 K + ignition-delay: + - 53.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.834 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1325.0 K + ignition-delay: + - 53.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.93 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1218.0 K + ignition-delay: + - 135.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.527 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1282.0 K + ignition-delay: + - 71.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.689 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1206.0 K + ignition-delay: + - 110.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.534 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1260.0 K + ignition-delay: + - 75.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.647 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1405.0 K + ignition-delay: + - 38.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.973 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1213.0 K + ignition-delay: + - 98.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.439 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1368.0 K + ignition-delay: + - 43.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.754 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1239.0 K + ignition-delay: + - 85.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.491 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1277.0 K + ignition-delay: + - 79.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.453 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1347.0 K + ignition-delay: + - 50.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.585 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1318.0 K + ignition-delay: + - 42.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.668 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1220.0 K + ignition-delay: + - 65.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.347 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1247.0 K + ignition-delay: + - 57.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.436 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1189.0 K + ignition-delay: + - 73.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.263 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1146.0 K + ignition-delay: + - 93.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.131 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1099.0 K + ignition-delay: + - 428.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.982 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1025.0 K + ignition-delay: + - 282.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.834 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1145.0 K + ignition-delay: + - 103.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.227 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1190.0 K + ignition-delay: + - 73.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.381 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1220.0 K + ignition-delay: + - 62.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.482 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1181.0 K + ignition-delay: + - 70.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.35 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1199.0 K + ignition-delay: + - 62.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.391 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1098.0 K + ignition-delay: + - 170.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.959 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1242.0 K + ignition-delay: + - 63.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.892 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1012.0 K + ignition-delay: + - 375.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.35 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1312.0 K + ignition-delay: + - 48.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.008 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1125.0 K + ignition-delay: + - 189.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.544 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1364.0 K + ignition-delay: + - 44.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.746 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + diff --git a/Hydrogen/Cheng_1984_ST_mix11_phi_0.5.yaml b/Hydrogen/Cheng_1984_ST_mix11_phi_0.5.yaml new file mode 100644 index 0000000..1497d0a --- /dev/null +++ b/Hydrogen/Cheng_1984_ST_mix11_phi_0.5.yaml @@ -0,0 +1,647 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/0010-2180(84)90088-9 + authors: + - name: R.K. Cheng + - name: A.K. Oppenheim + journal: Combustion and Flame + year: 1984 + volume: 58 + pages: 125-139 + detail: Figure 4 open diamond, optained from https://cloudflame.kaust.edu.sa/doidata/display/57 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: University of California Berkeley + facility: aluminum shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.05 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.05 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.90 + ignition-type: &ign + target: pressure + type: d/dt max +datapoints: + - temperature: + - 1071.0 K + ignition-delay: + - 155.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.039 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1198.0 K + ignition-delay: + - 61.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.473 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1207.0 K + ignition-delay: + - 60.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.506 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1026.0 K + ignition-delay: + - 200.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.896 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1084.0 K + ignition-delay: + - 124.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.957 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1148.0 K + ignition-delay: + - 73.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.167 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1317.0 K + ignition-delay: + - 32.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.735 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1351.0 K + ignition-delay: + - 32.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.84 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1308.0 K + ignition-delay: + - 33.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.503 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1163.0 K + ignition-delay: + - 78.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.057 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1161.0 K + ignition-delay: + - 88.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.048 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1278.0 K + ignition-delay: + - 44.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.41 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1051.0 K + ignition-delay: + - 190.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.723 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1151.0 K + ignition-delay: + - 95.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.87 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1162.0 K + ignition-delay: + - 72.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.902 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1280.0 K + ignition-delay: + - 35.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.238 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1364.0 K + ignition-delay: + - 30.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.288 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1239.0 K + ignition-delay: + - 59.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.951 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1210.0 K + ignition-delay: + - 67.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.876 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1219.0 K + ignition-delay: + - 72.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.901 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1202.0 K + ignition-delay: + - 76.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.856 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1065.0 K + ignition-delay: + - 131.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.504 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1121.0 K + ignition-delay: + - 139.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.5 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1108.0 K + ignition-delay: + - 150.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.469 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1285.0 K + ignition-delay: + - 43.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.896 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1193.0 K + ignition-delay: + - 80.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.674 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1243.0 K + ignition-delay: + - 58.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.62 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1355.0 K + ignition-delay: + - 32.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.856 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1230.0 K + ignition-delay: + - 72.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.592 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1090.0 K + ignition-delay: + - 143.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.206 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1165.0 K + ignition-delay: + - 64.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.495 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1148.0 K + ignition-delay: + - 62.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.421 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1253.0 K + ignition-delay: + - 43.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.063 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1075.0 K + ignition-delay: + - 145.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1210.0 K + ignition-delay: + - 59.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.477 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1128.0 K + ignition-delay: + - 100.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.197 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1252.0 K + ignition-delay: + - 38.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.433 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1204.0 K + ignition-delay: + - 80.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.318 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1093.0 K + ignition-delay: + - 127.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.963 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1210.0 K + ignition-delay: + - 62.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.199 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1183.0 K + ignition-delay: + - 70.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.96 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1301.0 K + ignition-delay: + - 42.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.298 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1252.0 K + ignition-delay: + - 70.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.467 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1336.0 K + ignition-delay: + - 60.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.641 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1306.0 K + ignition-delay: + - 50.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.568 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1210.0 K + ignition-delay: + - 90.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.414 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1290.0 K + ignition-delay: + - 67.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.574 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1397.0 K + ignition-delay: + - 36.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.75 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1393.0 K + ignition-delay: + - 34.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.58 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1280.0 K + ignition-delay: + - 56.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.877 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1198.0 K + ignition-delay: + - 62.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.685 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1152.0 K + ignition-delay: + - 90.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.022 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1004.0 K + ignition-delay: + - 335.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.591 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1014.0 K + ignition-delay: + - 245.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 1.849 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1052.0 K + ignition-delay: + - 180.0 us + - uncertainty-type: absolute + uncertainty: 4 us + pressure: + - 2.085 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + diff --git a/Hydrogen/Cohen_1967_ST_phi_1.yaml b/Hydrogen/Cohen_1967_ST_phi_1.yaml new file mode 100644 index 0000000..4679ed2 --- /dev/null +++ b/Hydrogen/Cohen_1967_ST_phi_1.yaml @@ -0,0 +1,214 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + authors: + - name: A. Cohen + - name: J. Larsen + year: 1967 + detail: Technical Report BRL 1386 [file.Converted from ReSpecTh XML file x00000357_p.xml] +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Army Research Laboratory, Aberdeen, Maryland + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.2 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.1 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.7 + ignition-type: &ign + target: pressure + type: d/dt max +datapoints: + - temperature: + - 1583 K + ignition-delay: + - 27.6 us + pressure: + - 0.528 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1510 K + ignition-delay: + - 32.5 us + pressure: + - 0.493 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1430 K + ignition-delay: + - 47.4 us + pressure: + - 0.454 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1242 K + ignition-delay: + - 116.1 us + pressure: + - 0.362 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1197 K + ignition-delay: + - 148.4 us + pressure: + - 0.340 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1015 K + ignition-delay: + - 705.7 us + pressure: + - 0.251 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1455 K + ignition-delay: + - 18.4 us + pressure: + - 0.928 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1243 K + ignition-delay: + - 51.9 us + pressure: + - 0.722 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1202 K + ignition-delay: + - 119.7 us + pressure: + - 0.683 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1165 K + ignition-delay: + - 108.5 us + pressure: + - 0.646 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1145 K + ignition-delay: + - 165.8 us + pressure: + - 0.627 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1091 K + ignition-delay: + - 148.8 us + pressure: + - 0.574 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1064 K + ignition-delay: + - 196.0 us + pressure: + - 0.548 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1014 K + ignition-delay: + - 530.9 us + pressure: + - 0.499 atm + composition: *comp + ignition-type: *ign + - temperature: + - 951 K + ignition-delay: + - 524.2 us + pressure: + - 0.438 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1094 K + ignition-delay: + - 75.4 us + pressure: + - 1.444 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1036 K + ignition-delay: + - 105.9 us + pressure: + - 1.303 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1005 K + ignition-delay: + - 132.6 us + pressure: + - 1.229 atm + composition: *comp + ignition-type: *ign + - temperature: + - 941 K + ignition-delay: + - 393.0 us + pressure: + - 1.071 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1089 K + ignition-delay: + - 97.9 us + pressure: + - 0.572 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1033 K + ignition-delay: + - 203.4 us + pressure: + - 0.518 atm + composition: *comp + ignition-type: *ign + - temperature: + - 966 K + ignition-delay: + - 183.7 us + pressure: + - 1.357 atm + composition: *comp + ignition-type: *ign + diff --git a/Hydrogen/Das_2012_RCM_mix#1_p_10-1.yaml b/Hydrogen/Das_2012_RCM_mix#1_p_10-1.yaml new file mode 100644 index 0000000..be4846f --- /dev/null +++ b/Hydrogen/Das_2012_RCM_mix#1_p_10-1.yaml @@ -0,0 +1,1052 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #1 10 bar series point 1 Converted from ReSpecTh XML file x40000011_1.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 410.45 K + ignition-delay: + - 1.90 ms + pressure: + - 0.3231 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 10 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.8125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 3.419e+01] + - [2.500e-04 , 3.238e+01] + - [5.000e-04 , 3.135e+01] + - [7.500e-04 , 3.130e+01] + - [1.000e-03 , 3.201e+01] + - [1.250e-03 , 3.190e+01] + - [1.500e-03 , 3.198e+01] + - [1.750e-03 , 3.206e+01] + - [2.000e-03 , 3.206e+01] + - [2.250e-03 , 3.199e+01] + - [2.500e-03 , 3.190e+01] + - [2.750e-03 , 3.174e+01] + - [3.000e-03 , 3.152e+01] + - [3.250e-03 , 3.126e+01] + - [3.500e-03 , 3.102e+01] + - [3.750e-03 , 3.082e+01] + - [4.000e-03 , 3.063e+01] + - [4.250e-03 , 3.045e+01] + - [4.500e-03 , 3.033e+01] + - [4.750e-03 , 3.026e+01] + - [5.000e-03 , 3.018e+01] + - [5.250e-03 , 3.008e+01] + - [5.500e-03 , 3.001e+01] + - [5.750e-03 , 2.998e+01] + - [6.000e-03 , 2.996e+01] + - [6.250e-03 , 2.993e+01] + - [6.500e-03 , 2.991e+01] + - [6.750e-03 , 2.995e+01] + - [7.000e-03 , 3.008e+01] + - [7.250e-03 , 3.018e+01] + - [7.500e-03 , 3.016e+01] + - [7.750e-03 , 3.008e+01] + - [8.000e-03 , 2.995e+01] + - [8.250e-03 , 2.974e+01] + - [8.500e-03 , 2.949e+01] + - [8.750e-03 , 2.920e+01] + - [9.000e-03 , 2.888e+01] + - [9.250e-03 , 2.859e+01] + - [9.500e-03 , 2.835e+01] + - [9.750e-03 , 2.817e+01] + - [1.000e-02 , 2.806e+01] + - [1.025e-02 , 2.799e+01] + - [1.050e-02 , 2.793e+01] + - [1.075e-02 , 2.785e+01] + - [1.100e-02 , 2.776e+01] + - [1.125e-02 , 2.763e+01] + - [1.150e-02 , 2.745e+01] + - [1.175e-02 , 2.727e+01] + - [1.200e-02 , 2.710e+01] + - [1.225e-02 , 2.691e+01] + - [1.250e-02 , 2.670e+01] + - [1.275e-02 , 2.648e+01] + - [1.300e-02 , 2.628e+01] + - [1.325e-02 , 2.610e+01] + - [1.350e-02 , 2.594e+01] + - [1.375e-02 , 2.575e+01] + - [1.400e-02 , 2.557e+01] + - [1.425e-02 , 2.542e+01] + - [1.450e-02 , 2.525e+01] + - [1.475e-02 , 2.506e+01] + - [1.500e-02 , 2.485e+01] + - [1.525e-02 , 2.465e+01] + - [1.550e-02 , 2.447e+01] + - [1.575e-02 , 2.429e+01] + - [1.600e-02 , 2.409e+01] + - [1.625e-02 , 2.389e+01] + - [1.650e-02 , 2.370e+01] + - [1.675e-02 , 2.353e+01] + - [1.700e-02 , 2.335e+01] + - [1.725e-02 , 2.316e+01] + - [1.750e-02 , 2.299e+01] + - [1.775e-02 , 2.281e+01] + - [1.800e-02 , 2.261e+01] + - [1.825e-02 , 2.240e+01] + - [1.850e-02 , 2.215e+01] + - [1.875e-02 , 2.191e+01] + - [1.900e-02 , 2.168e+01] + - [1.925e-02 , 2.146e+01] + - [1.950e-02 , 2.123e+01] + - [1.975e-02 , 2.098e+01] + - [2.000e-02 , 2.075e+01] + - [2.025e-02 , 2.056e+01] + - [2.050e-02 , 2.040e+01] + - [2.075e-02 , 2.025e+01] + - [2.100e-02 , 2.008e+01] + - [2.125e-02 , 1.989e+01] + - [2.150e-02 , 1.968e+01] + - [2.175e-02 , 1.950e+01] + - [2.200e-02 , 1.934e+01] + - [2.225e-02 , 1.917e+01] + - [2.250e-02 , 1.901e+01] + - [2.275e-02 , 1.886e+01] + - [2.300e-02 , 1.870e+01] + - [2.325e-02 , 1.857e+01] + - [2.350e-02 , 1.845e+01] + - [2.375e-02 , 1.834e+01] + - [2.400e-02 , 1.820e+01] + - [2.425e-02 , 1.804e+01] + - [2.450e-02 , 1.787e+01] + - [2.475e-02 , 1.769e+01] + - [2.500e-02 , 1.751e+01] + - [2.525e-02 , 1.734e+01] + - [2.550e-02 , 1.718e+01] + - [2.575e-02 , 1.702e+01] + - [2.600e-02 , 1.686e+01] + - [2.625e-02 , 1.670e+01] + - [2.650e-02 , 1.655e+01] + - [2.675e-02 , 1.640e+01] + - [2.700e-02 , 1.625e+01] + - [2.725e-02 , 1.611e+01] + - [2.750e-02 , 1.595e+01] + - [2.775e-02 , 1.578e+01] + - [2.800e-02 , 1.561e+01] + - [2.825e-02 , 1.544e+01] + - [2.850e-02 , 1.527e+01] + - [2.875e-02 , 1.511e+01] + - [2.900e-02 , 1.493e+01] + - [2.925e-02 , 1.474e+01] + - [2.950e-02 , 1.457e+01] + - [2.975e-02 , 1.441e+01] + - [3.000e-02 , 1.425e+01] + - [3.025e-02 , 1.410e+01] + - [3.050e-02 , 1.394e+01] + - [3.075e-02 , 1.378e+01] + - [3.100e-02 , 1.363e+01] + - [3.125e-02 , 1.347e+01] + - [3.150e-02 , 1.331e+01] + - [3.175e-02 , 1.315e+01] + - [3.200e-02 , 1.299e+01] + - [3.225e-02 , 1.282e+01] + - [3.250e-02 , 1.264e+01] + - [3.275e-02 , 1.247e+01] + - [3.300e-02 , 1.231e+01] + - [3.325e-02 , 1.215e+01] + - [3.350e-02 , 1.199e+01] + - [3.375e-02 , 1.182e+01] + - [3.400e-02 , 1.165e+01] + - [3.425e-02 , 1.150e+01] + - [3.450e-02 , 1.136e+01] + - [3.475e-02 , 1.120e+01] + - [3.500e-02 , 1.103e+01] + - [3.525e-02 , 1.086e+01] + - [3.550e-02 , 1.070e+01] + - [3.575e-02 , 1.054e+01] + - [3.600e-02 , 1.037e+01] + - [3.625e-02 , 1.021e+01] + - [3.650e-02 , 1.005e+01] + - [3.675e-02 , 9.885e+00] + - [3.700e-02 , 9.723e+00] + - [3.725e-02 , 9.565e+00] + - [3.750e-02 , 9.410e+00] + - [3.775e-02 , 9.255e+00] + - [3.800e-02 , 9.098e+00] + - [3.825e-02 , 8.939e+00] + - [3.850e-02 , 8.781e+00] + - [3.875e-02 , 8.625e+00] + - [3.900e-02 , 8.470e+00] + - [3.925e-02 , 8.314e+00] + - [3.950e-02 , 8.158e+00] + - [3.975e-02 , 8.001e+00] + - [4.000e-02 , 7.845e+00] + - [4.025e-02 , 7.690e+00] + - [4.050e-02 , 7.534e+00] + - [4.075e-02 , 7.379e+00] + - [4.100e-02 , 7.221e+00] + - [4.125e-02 , 7.063e+00] + - [4.150e-02 , 6.906e+00] + - [4.175e-02 , 6.751e+00] + - [4.200e-02 , 6.598e+00] + - [4.225e-02 , 6.445e+00] + - [4.250e-02 , 6.293e+00] + - [4.275e-02 , 6.140e+00] + - [4.300e-02 , 5.989e+00] + - [4.325e-02 , 5.839e+00] + - [4.350e-02 , 5.688e+00] + - [4.375e-02 , 5.537e+00] + - [4.400e-02 , 5.384e+00] + - [4.425e-02 , 5.232e+00] + - [4.450e-02 , 5.081e+00] + - [4.475e-02 , 4.931e+00] + - [4.500e-02 , 4.783e+00] + - [4.525e-02 , 4.636e+00] + - [4.550e-02 , 4.491e+00] + - [4.575e-02 , 4.349e+00] + - [4.600e-02 , 4.210e+00] + - [4.625e-02 , 4.076e+00] + - [4.650e-02 , 3.946e+00] + - [4.675e-02 , 3.821e+00] + - [4.700e-02 , 3.701e+00] + - [4.725e-02 , 3.585e+00] + - [4.750e-02 , 3.474e+00] + - [4.775e-02 , 3.369e+00] + - [4.800e-02 , 3.270e+00] + - [4.825e-02 , 3.180e+00] + - [4.850e-02 , 3.098e+00] + - [4.875e-02 , 3.027e+00] + - [4.900e-02 , 2.966e+00] + - [4.925e-02 , 2.916e+00] + - [4.950e-02 , 2.876e+00] + - [4.975e-02 , 2.847e+00] + - [5.000e-02 , 2.829e+00] + - [5.025e-02 , 2.818e+00] + - [5.049e-02 , 2.815e+00] + - [5.074e-02 , 2.816e+00] + - [5.099e-02 , 2.819e+00] + - [5.124e-02 , 2.826e+00] + - [5.149e-02 , 2.834e+00] + - [5.174e-02 , 2.841e+00] + - [5.199e-02 , 2.849e+00] + - [5.224e-02 , 2.855e+00] + - [5.249e-02 , 2.861e+00] + - [5.274e-02 , 2.866e+00] + - [5.299e-02 , 2.872e+00] + - [5.324e-02 , 2.878e+00] + - [5.349e-02 , 2.883e+00] + - [5.374e-02 , 2.888e+00] + - [5.399e-02 , 2.893e+00] + - [5.424e-02 , 2.898e+00] + - [5.449e-02 , 2.902e+00] + - [5.474e-02 , 2.906e+00] + - [5.499e-02 , 2.911e+00] + - [5.524e-02 , 2.915e+00] + - [5.549e-02 , 2.919e+00] + - [5.574e-02 , 2.923e+00] + - [5.599e-02 , 2.926e+00] + - [5.624e-02 , 2.930e+00] + - [5.649e-02 , 2.933e+00] + - [5.674e-02 , 2.935e+00] + - [5.699e-02 , 2.937e+00] + - [5.724e-02 , 2.940e+00] + - [5.749e-02 , 2.942e+00] + - [5.774e-02 , 2.945e+00] + - [5.799e-02 , 2.948e+00] + - [5.824e-02 , 2.951e+00] + - [5.849e-02 , 2.954e+00] + - [5.874e-02 , 2.958e+00] + - [5.899e-02 , 2.961e+00] + - [5.924e-02 , 2.964e+00] + - [5.949e-02 , 2.967e+00] + - [5.974e-02 , 2.971e+00] + - [5.999e-02 , 2.973e+00] + - [6.024e-02 , 2.976e+00] + - [6.049e-02 , 2.979e+00] + - [6.074e-02 , 2.982e+00] + - [6.099e-02 , 2.984e+00] + - [6.124e-02 , 2.987e+00] + - [6.149e-02 , 2.989e+00] + - [6.174e-02 , 2.991e+00] + - [6.199e-02 , 2.993e+00] + - [6.224e-02 , 2.995e+00] + - [6.249e-02 , 2.997e+00] + - [6.274e-02 , 2.999e+00] + - [6.299e-02 , 3.001e+00] + - [6.324e-02 , 3.003e+00] + - [6.349e-02 , 3.006e+00] + - [6.374e-02 , 3.008e+00] + - [6.399e-02 , 3.010e+00] + - [6.424e-02 , 3.013e+00] + - [6.449e-02 , 3.015e+00] + - [6.474e-02 , 3.018e+00] + - [6.499e-02 , 3.021e+00] + - [6.524e-02 , 3.023e+00] + - [6.549e-02 , 3.026e+00] + - [6.574e-02 , 3.028e+00] + - [6.599e-02 , 3.030e+00] + - [6.624e-02 , 3.032e+00] + - [6.649e-02 , 3.034e+00] + - [6.674e-02 , 3.036e+00] + - [6.699e-02 , 3.038e+00] + - [6.724e-02 , 3.040e+00] + - [6.749e-02 , 3.042e+00] + - [6.774e-02 , 3.044e+00] + - [6.799e-02 , 3.046e+00] + - [6.824e-02 , 3.047e+00] + - [6.849e-02 , 3.049e+00] + - [6.874e-02 , 3.051e+00] + - [6.899e-02 , 3.053e+00] + - [6.924e-02 , 3.054e+00] + - [6.949e-02 , 3.056e+00] + - [6.974e-02 , 3.058e+00] + - [6.999e-02 , 3.061e+00] + - [7.024e-02 , 3.063e+00] + - [7.049e-02 , 3.065e+00] + - [7.074e-02 , 3.066e+00] + - [7.099e-02 , 3.068e+00] + - [7.124e-02 , 3.070e+00] + - [7.149e-02 , 3.071e+00] + - [7.174e-02 , 3.073e+00] + - [7.199e-02 , 3.074e+00] + - [7.224e-02 , 3.076e+00] + - [7.249e-02 , 3.077e+00] + - 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[2.437e-01 , 3.708e+00] + - [2.440e-01 , 3.710e+00] + - [2.442e-01 , 3.712e+00] + - [2.445e-01 , 3.713e+00] + - [2.447e-01 , 3.714e+00] + - [2.450e-01 , 3.714e+00] + - [2.452e-01 , 3.714e+00] + - [2.455e-01 , 3.714e+00] + - [2.457e-01 , 3.714e+00] + - [2.460e-01 , 3.714e+00] + - [2.462e-01 , 3.715e+00] + - [2.465e-01 , 3.716e+00] + - [2.467e-01 , 3.718e+00] + - [2.470e-01 , 3.720e+00] + - [2.472e-01 , 3.722e+00] + diff --git a/Hydrogen/Das_2012_RCM_mix#1_p_10-2.yaml b/Hydrogen/Das_2012_RCM_mix#1_p_10-2.yaml new file mode 100644 index 0000000..049a47b --- /dev/null +++ b/Hydrogen/Das_2012_RCM_mix#1_p_10-2.yaml @@ -0,0 +1,1074 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #1 10 bar series point 2 Converted from ReSpecTh XML file x40000011_2.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 410.85 K + ignition-delay: + - 4.20 ms + pressure: + - 0.3395 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 10 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.8125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 3.263e+01] + - [2.500e-04 , 3.249e+01] + - [5.000e-04 , 3.235e+01] + - 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[2.527e-01 , 3.738e+00] + diff --git a/Hydrogen/Das_2012_RCM_mix#1_p_10-3.yaml b/Hydrogen/Das_2012_RCM_mix#1_p_10-3.yaml new file mode 100644 index 0000000..e5d7270 --- /dev/null +++ b/Hydrogen/Das_2012_RCM_mix#1_p_10-3.yaml @@ -0,0 +1,1072 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #1 10 bar series point 3 Converted from ReSpecTh XML file x40000011_3.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 410.85 K + ignition-delay: + - 7.26 ms + pressure: + - 0.3614 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 10 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.8125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 3.103e+01] + - [2.500e-04 , 3.094e+01] + - [5.000e-04 , 3.084e+01] + - 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name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #1 10 bar series point 4 Converted from ReSpecTh XML file x40000011_4.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 410.75 K + ignition-delay: + - 16.01 ms + pressure: + - 0.3961 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 10 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.8125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 2.950e+01] + - [2.500e-04 , 2.936e+01] + - [5.000e-04 , 2.923e+01] + - 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name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #1 30 bar series point 1 Converted from ReSpecTh XML file x40000012_1.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 401.15 K + ignition-delay: + - 1.19 ms + pressure: + - 0.9228 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 30 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.8125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 3.252e+01] + - [2.500e-04 , 3.243e+01] + - [5.000e-04 , 3.234e+01] + - 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[2.437e-01 , 3.406e+00] + - [2.440e-01 , 3.407e+00] + - [2.442e-01 , 3.407e+00] + - [2.445e-01 , 3.408e+00] + - [2.447e-01 , 3.408e+00] + - [2.450e-01 , 3.408e+00] + - [2.452e-01 , 3.409e+00] + - [2.455e-01 , 3.409e+00] + - [2.457e-01 , 3.410e+00] + - [2.460e-01 , 3.410e+00] + diff --git a/Hydrogen/Das_2012_RCM_mix#1_p_30-2.yaml b/Hydrogen/Das_2012_RCM_mix#1_p_30-2.yaml new file mode 100644 index 0000000..fc60cc8 --- /dev/null +++ b/Hydrogen/Das_2012_RCM_mix#1_p_30-2.yaml @@ -0,0 +1,1035 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #1 30 bar series point 2 Converted from ReSpecTh XML file x40000012_2.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 400.95 K + ignition-delay: + - 2.65 ms + pressure: + - 0.9905 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 30 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.8125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 3.088e+01] + - [2.500e-04 , 3.078e+01] + - [5.000e-04 , 3.069e+01] + - 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name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #1 30 bar series point 3 Converted from ReSpecTh XML file x40000012_3.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 400.85 K + ignition-delay: + - 5.02 ms + pressure: + - 1.0427 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 30 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.8125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 2.925e+01] + - [2.500e-04 , 2.918e+01] + - [5.000e-04 , 2.912e+01] + - 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name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #1 30 bar series point 4 Converted from ReSpecTh XML file x40000012_4.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 400.85 K + ignition-delay: + - 8.50 ms + pressure: + - 1.1943 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 30 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.8125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 2.767e+01] + - [2.500e-04 , 2.766e+01] + - [5.000e-04 , 2.764e+01] + - 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name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #1 30 bar series point 5 Converted from ReSpecTh XML file x40000012_5.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 401.05 K + ignition-delay: + - 17.30 ms + pressure: + - 1.1989 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 30 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.8125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 2.607e+01] + - [2.500e-04 , 2.601e+01] + - [5.000e-04 , 2.594e+01] + - 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[2.347e-01 , 3.171e+00] + - [2.350e-01 , 3.172e+00] + - [2.352e-01 , 3.172e+00] + - [2.355e-01 , 3.172e+00] + - [2.357e-01 , 3.173e+00] + - [2.360e-01 , 3.173e+00] + - [2.362e-01 , 3.173e+00] + - [2.365e-01 , 3.173e+00] + - [2.367e-01 , 3.173e+00] + - [2.370e-01 , 3.173e+00] + - [2.372e-01 , 3.174e+00] + diff --git a/Hydrogen/Das_2012_RCM_mix#1_p_30-6.yaml b/Hydrogen/Das_2012_RCM_mix#1_p_30-6.yaml new file mode 100644 index 0000000..3a8e662 --- /dev/null +++ b/Hydrogen/Das_2012_RCM_mix#1_p_30-6.yaml @@ -0,0 +1,1001 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #1 30 bar series point 6 Converted from ReSpecTh XML file x40000012_6.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 401.05 K + ignition-delay: + - 36.01 ms + pressure: + - 1.3209 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 30 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.8125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 2.448e+01] + - [2.500e-04 , 2.441e+01] + - [5.000e-04 , 2.434e+01] + - 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name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #1 30 bar series point 7 Converted from ReSpecTh XML file x40000012_7.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 401.05 K + ignition-delay: + - 55.32 ms + pressure: + - 1.3719 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 30 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.8125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 2.461e+01] + - [2.500e-04 , 2.456e+01] + - [5.000e-04 , 2.450e+01] + - [7.500e-04 , 2.445e+01] + - [1.000e-03 , 2.440e+01] + - [1.250e-03 , 2.435e+01] + - [1.500e-03 , 2.430e+01] + - [1.750e-03 , 2.424e+01] + - [2.000e-03 , 2.419e+01] + - [2.250e-03 , 2.414e+01] + - [2.500e-03 , 2.409e+01] + - [2.750e-03 , 2.404e+01] + - [3.000e-03 , 2.399e+01] + - [3.250e-03 , 2.394e+01] + - [3.500e-03 , 2.389e+01] + - [3.750e-03 , 2.384e+01] + - [4.000e-03 , 2.379e+01] + - [4.250e-03 , 2.375e+01] + - [4.500e-03 , 2.370e+01] + - [4.750e-03 , 2.365e+01] + - [5.000e-03 , 2.360e+01] + - [5.250e-03 , 2.355e+01] + - [5.500e-03 , 2.351e+01] + - [5.750e-03 , 2.346e+01] + - [6.000e-03 , 2.341e+01] + - [6.250e-03 , 2.336e+01] + - [6.500e-03 , 2.332e+01] + - [6.750e-03 , 2.327e+01] + - [7.000e-03 , 2.322e+01] + - [7.250e-03 , 2.318e+01] + - [7.500e-03 , 2.313e+01] + - [7.750e-03 , 2.307e+01] + - [8.000e-03 , 2.300e+01] + - [8.250e-03 , 2.294e+01] + - [8.500e-03 , 2.286e+01] + - [8.750e-03 , 2.277e+01] + - [9.000e-03 , 2.267e+01] + - [9.250e-03 , 2.255e+01] + - [9.500e-03 , 2.241e+01] + - 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[2.347e-01 , 3.241e+00] + - [2.350e-01 , 3.241e+00] + - [2.352e-01 , 3.242e+00] + - [2.355e-01 , 3.242e+00] + - [2.357e-01 , 3.242e+00] + - [2.360e-01 , 3.242e+00] + - [2.362e-01 , 3.242e+00] + - [2.365e-01 , 3.243e+00] + - [2.367e-01 , 3.243e+00] + - [2.370e-01 , 3.244e+00] + diff --git a/Hydrogen/Das_2012_RCM_mix#1_p_30-8.yaml b/Hydrogen/Das_2012_RCM_mix#1_p_30-8.yaml new file mode 100644 index 0000000..189d65a --- /dev/null +++ b/Hydrogen/Das_2012_RCM_mix#1_p_30-8.yaml @@ -0,0 +1,1014 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #1 30 bar series point 8 Converted from ReSpecTh XML file x40000012_8.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 400.85 K + ignition-delay: + - 94.73 ms + pressure: + - 1.4601 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 30 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.8125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 2.473e+01] + - [2.500e-04 , 2.468e+01] + - [5.000e-04 , 2.464e+01] + - 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[2.347e-01 , 3.349e+00] + - [2.350e-01 , 3.350e+00] + - [2.352e-01 , 3.350e+00] + - [2.355e-01 , 3.350e+00] + - [2.357e-01 , 3.350e+00] + - [2.360e-01 , 3.351e+00] + - [2.362e-01 , 3.351e+00] + - [2.365e-01 , 3.352e+00] + - [2.367e-01 , 3.352e+00] + - [2.370e-01 , 3.352e+00] + - [2.372e-01 , 3.353e+00] + - [2.375e-01 , 3.353e+00] + - [2.377e-01 , 3.353e+00] + diff --git a/Hydrogen/Das_2012_RCM_mix#1_p_70-1.yaml b/Hydrogen/Das_2012_RCM_mix#1_p_70-1.yaml new file mode 100644 index 0000000..d190282 --- /dev/null +++ b/Hydrogen/Das_2012_RCM_mix#1_p_70-1.yaml @@ -0,0 +1,995 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #1 70 bar series point 1 Converted from ReSpecTh XML file x40000013_1.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 400.95 K + ignition-delay: + - 1.33 ms + pressure: + - 2.3039 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 70 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.8125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 2.400e+01] + - [2.500e-04 , 2.395e+01] + - [5.000e-04 , 2.390e+01] + - 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name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #1 70 bar series point 1 Converted from ReSpecTh XML file x40000013_1.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 401.05 K + ignition-delay: + - 2.08 ms + pressure: + - 2.4789 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 70 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.8125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 2.415e+01] + - [2.500e-04 , 2.407e+01] + - [5.000e-04 , 2.400e+01] + - 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[2.257e-01 , 2.764e+00] + - [2.260e-01 , 2.764e+00] + - [2.262e-01 , 2.764e+00] + - [2.265e-01 , 2.765e+00] + - [2.267e-01 , 2.765e+00] + - [2.270e-01 , 2.766e+00] + - [2.272e-01 , 2.766e+00] + - [2.275e-01 , 2.766e+00] + - [2.277e-01 , 2.767e+00] + - [2.280e-01 , 2.767e+00] + - [2.282e-01 , 2.768e+00] + - [2.285e-01 , 2.768e+00] + - [2.287e-01 , 2.768e+00] + - [2.290e-01 , 2.769e+00] + - [2.292e-01 , 2.769e+00] + diff --git a/Hydrogen/Das_2012_RCM_mix#1_p_70-3.yaml b/Hydrogen/Das_2012_RCM_mix#1_p_70-3.yaml new file mode 100644 index 0000000..6cdb9dd --- /dev/null +++ b/Hydrogen/Das_2012_RCM_mix#1_p_70-3.yaml @@ -0,0 +1,981 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #1 70 bar series point 1 Converted from ReSpecTh XML file x40000013_1.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 401.15 K + ignition-delay: + - 4.39 ms + pressure: + - 2.6658 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 70 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.8125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 2.426e+01] + - [2.500e-04 , 2.419e+01] + - [5.000e-04 , 2.411e+01] + - 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[2.257e-01 , 2.882e+00] + - [2.260e-01 , 2.882e+00] + - [2.262e-01 , 2.882e+00] + - [2.265e-01 , 2.883e+00] + - [2.267e-01 , 2.883e+00] + - [2.270e-01 , 2.884e+00] + - [2.272e-01 , 2.884e+00] + - [2.275e-01 , 2.884e+00] + - [2.277e-01 , 2.885e+00] + - [2.280e-01 , 2.885e+00] + - [2.282e-01 , 2.885e+00] + - [2.285e-01 , 2.886e+00] + - [2.287e-01 , 2.886e+00] + - [2.290e-01 , 2.887e+00] + - [2.292e-01 , 2.887e+00] + - [2.295e-01 , 2.888e+00] + diff --git a/Hydrogen/Das_2012_RCM_mix#1_p_70-4.yaml b/Hydrogen/Das_2012_RCM_mix#1_p_70-4.yaml new file mode 100644 index 0000000..b675407 --- /dev/null +++ b/Hydrogen/Das_2012_RCM_mix#1_p_70-4.yaml @@ -0,0 +1,993 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #1 70 bar series point 1 Converted from ReSpecTh XML file x40000013_1.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 400.95 K + ignition-delay: + - 7.58 ms + pressure: + - 2.8447 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 70 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.8125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 2.435e+01] + - [2.500e-04 , 2.431e+01] + - [5.000e-04 , 2.426e+01] + - 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name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #1 70 bar series point 1 Converted from ReSpecTh XML file x40000013_1.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 401.15 K + ignition-delay: + - 11.93 ms + pressure: + - 2.9895 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 70 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.8125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 2.448e+01] + - [2.500e-04 , 2.442e+01] + - [5.000e-04 , 2.436e+01] + - 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[2.257e-01 , 3.075e+00] + - [2.260e-01 , 3.076e+00] + - [2.262e-01 , 3.076e+00] + - [2.265e-01 , 3.077e+00] + - [2.267e-01 , 3.077e+00] + - [2.270e-01 , 3.077e+00] + - [2.272e-01 , 3.078e+00] + - [2.275e-01 , 3.078e+00] + - [2.277e-01 , 3.078e+00] + - [2.280e-01 , 3.079e+00] + - [2.282e-01 , 3.079e+00] + - [2.285e-01 , 3.079e+00] + - [2.287e-01 , 3.080e+00] + - [2.290e-01 , 3.080e+00] + - [2.292e-01 , 3.081e+00] + - [2.295e-01 , 3.081e+00] + - [2.297e-01 , 3.081e+00] + - [2.300e-01 , 3.082e+00] + - [2.302e-01 , 3.082e+00] + - [2.305e-01 , 3.082e+00] + - [2.307e-01 , 3.083e+00] + - [2.310e-01 , 3.083e+00] + diff --git a/Hydrogen/Das_2012_RCM_mix#1_p_70-6.yaml b/Hydrogen/Das_2012_RCM_mix#1_p_70-6.yaml new file mode 100644 index 0000000..844676c --- /dev/null +++ b/Hydrogen/Das_2012_RCM_mix#1_p_70-6.yaml @@ -0,0 +1,983 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #1 70 bar series point 1 Converted from ReSpecTh XML file x40000013_1.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 401.15 K + ignition-delay: + - 19.37 ms + pressure: + - 3.0760 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 70 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.8125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 2.460e+01] + - [2.500e-04 , 2.452e+01] + - [5.000e-04 , 2.445e+01] + - 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[2.257e-01 , 3.240e+00] + - [2.260e-01 , 3.240e+00] + - [2.262e-01 , 3.241e+00] + - [2.265e-01 , 3.241e+00] + - [2.267e-01 , 3.242e+00] + - [2.270e-01 , 3.242e+00] + - [2.272e-01 , 3.242e+00] + - [2.275e-01 , 3.243e+00] + - [2.277e-01 , 3.243e+00] + - [2.280e-01 , 3.244e+00] + - [2.282e-01 , 3.244e+00] + - [2.285e-01 , 3.244e+00] + - [2.287e-01 , 3.245e+00] + - [2.290e-01 , 3.245e+00] + - [2.292e-01 , 3.246e+00] + - [2.295e-01 , 3.246e+00] + - [2.297e-01 , 3.246e+00] + - [2.300e-01 , 3.247e+00] + diff --git a/Hydrogen/Das_2012_RCM_mix#1_p_70-7.yaml b/Hydrogen/Das_2012_RCM_mix#1_p_70-7.yaml new file mode 100644 index 0000000..1261005 --- /dev/null +++ b/Hydrogen/Das_2012_RCM_mix#1_p_70-7.yaml @@ -0,0 +1,989 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #1 70 bar series point 1 Converted from ReSpecTh XML file x40000013_1.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 401.15 K + ignition-delay: + - 35.12 ms + pressure: + - 3.3316 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 70 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.8125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 2.476e+01] + - [2.500e-04 , 2.470e+01] + - [5.000e-04 , 2.464e+01] + - 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name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #2 10 bar series point 1 Converted from ReSpecTh XML file x40000014_1.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 420.65 K + ignition-delay: + - 2.50 ms + pressure: + - 0.3176 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 10 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.10 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.7125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 3.496e+01] + - 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name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #2 10 bar series point 2 Converted from ReSpecTh XML file x40000014_2.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 420.95 K + ignition-delay: + - 3.37 ms + pressure: + - 0.3257 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 10 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.10 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.7125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 3.417e+01] + - 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[2.432e-01 , 3.805e+00] + - [2.435e-01 , 3.805e+00] + - [2.437e-01 , 3.806e+00] + - [2.440e-01 , 3.807e+00] + - [2.442e-01 , 3.808e+00] + - [2.445e-01 , 3.809e+00] + - [2.447e-01 , 3.809e+00] + - [2.450e-01 , 3.809e+00] + - [2.452e-01 , 3.809e+00] + - [2.455e-01 , 3.809e+00] + - [2.457e-01 , 3.810e+00] + - [2.460e-01 , 3.810e+00] + - [2.462e-01 , 3.810e+00] + - [2.465e-01 , 3.811e+00] + - [2.467e-01 , 3.813e+00] + - [2.470e-01 , 3.814e+00] + - [2.472e-01 , 3.816e+00] + - [2.475e-01 , 3.818e+00] + - [2.477e-01 , 3.819e+00] + - [2.480e-01 , 3.820e+00] + - [2.482e-01 , 3.821e+00] + - [2.485e-01 , 3.822e+00] + diff --git a/Hydrogen/Das_2012_RCM_mix#2_p_10-3.yaml b/Hydrogen/Das_2012_RCM_mix#2_p_10-3.yaml new file mode 100644 index 0000000..b73b74b --- /dev/null +++ b/Hydrogen/Das_2012_RCM_mix#2_p_10-3.yaml @@ -0,0 +1,1050 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #2 10 bar series point 3 Converted from ReSpecTh XML file x40000014_3.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 421.05 K + ignition-delay: + - 5.60 ms + pressure: + - 0.3417 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 10 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.10 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.7125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 3.262e+01] + - 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[2.432e-01 , 3.777e+00] + - [2.435e-01 , 3.776e+00] + - [2.437e-01 , 3.777e+00] + - [2.440e-01 , 3.778e+00] + - [2.442e-01 , 3.780e+00] + - [2.445e-01 , 3.782e+00] + - [2.447e-01 , 3.784e+00] + - [2.450e-01 , 3.785e+00] + - [2.452e-01 , 3.785e+00] + - [2.455e-01 , 3.787e+00] + - [2.457e-01 , 3.788e+00] + diff --git a/Hydrogen/Das_2012_RCM_mix#2_p_10-4.yaml b/Hydrogen/Das_2012_RCM_mix#2_p_10-4.yaml new file mode 100644 index 0000000..aeeaee3 --- /dev/null +++ b/Hydrogen/Das_2012_RCM_mix#2_p_10-4.yaml @@ -0,0 +1,1073 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #2 10 bar series point 4 Converted from ReSpecTh XML file x40000014_4.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 420.75 K + ignition-delay: + - 10.35 ms + pressure: + - 0.3663 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 10 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.10 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.7125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 3.105e+01] + - 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name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #2 10 bar series point 5 Converted from ReSpecTh XML file x40000014_5.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 420.75 K + ignition-delay: + - 16.46 ms + pressure: + - 0.3974 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 10 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.10 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.7125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 2.911e+01] + - 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[2.432e-01 , 3.669e+00] + - [2.435e-01 , 3.669e+00] + - [2.437e-01 , 3.670e+00] + - [2.440e-01 , 3.670e+00] + - [2.442e-01 , 3.670e+00] + - [2.445e-01 , 3.670e+00] + - [2.447e-01 , 3.671e+00] + - [2.450e-01 , 3.671e+00] + - [2.452e-01 , 3.671e+00] + - [2.455e-01 , 3.672e+00] + - [2.457e-01 , 3.672e+00] + - [2.460e-01 , 3.672e+00] + - [2.462e-01 , 3.673e+00] + - [2.465e-01 , 3.673e+00] + - [2.467e-01 , 3.673e+00] + - [2.470e-01 , 3.674e+00] + - [2.472e-01 , 3.674e+00] + - [2.475e-01 , 3.674e+00] + - [2.477e-01 , 3.675e+00] + - [2.480e-01 , 3.676e+00] + diff --git a/Hydrogen/Das_2012_RCM_mix#2_p_30-1.yaml b/Hydrogen/Das_2012_RCM_mix#2_p_30-1.yaml new file mode 100644 index 0000000..79b5314 --- /dev/null +++ b/Hydrogen/Das_2012_RCM_mix#2_p_30-1.yaml @@ -0,0 +1,1077 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #2 30 bar series point 1 Converted from ReSpecTh XML file x40000015_1.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 410.75 K + ignition-delay: + - 1.35 ms + pressure: + - 0.9645 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 30 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.10 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.7125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 3.244e+01] + - [2.500e-04 , 3.239e+01] + - [5.000e-04 , 3.234e+01] + - [7.500e-04 , 3.230e+01] + - [1.000e-03 , 3.225e+01] + - [1.250e-03 , 3.221e+01] + - [1.500e-03 , 3.216e+01] + - [1.750e-03 , 3.212e+01] + - [2.000e-03 , 3.207e+01] + - [2.250e-03 , 3.203e+01] + - [2.500e-03 , 3.199e+01] + - [2.750e-03 , 3.194e+01] + - [3.000e-03 , 3.190e+01] + - [3.250e-03 , 3.185e+01] + - [3.500e-03 , 3.181e+01] + - [3.750e-03 , 3.177e+01] + - [4.000e-03 , 3.172e+01] + - [4.250e-03 , 3.168e+01] + - [4.500e-03 , 3.164e+01] + - [4.750e-03 , 3.159e+01] + - [5.000e-03 , 3.155e+01] + - [5.250e-03 , 3.151e+01] + - [5.500e-03 , 3.146e+01] + - [5.750e-03 , 3.142e+01] + - [6.000e-03 , 3.138e+01] + - [6.250e-03 , 3.134e+01] + - [6.500e-03 , 3.129e+01] + - [6.750e-03 , 3.125e+01] + - [7.000e-03 , 3.121e+01] + - [7.250e-03 , 3.117e+01] + - [7.500e-03 , 3.113e+01] + - [7.750e-03 , 3.109e+01] + - [8.000e-03 , 3.104e+01] + - [8.250e-03 , 3.100e+01] + - [8.500e-03 , 3.096e+01] + - [8.750e-03 , 3.092e+01] + - [9.000e-03 , 3.088e+01] + - 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[2.522e-01 , 3.468e+00] + - [2.525e-01 , 3.468e+00] + diff --git a/Hydrogen/Das_2012_RCM_mix#2_p_30-2.yaml b/Hydrogen/Das_2012_RCM_mix#2_p_30-2.yaml new file mode 100644 index 0000000..bcbe7f9 --- /dev/null +++ b/Hydrogen/Das_2012_RCM_mix#2_p_30-2.yaml @@ -0,0 +1,1039 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #2 30 bar series point 2 Converted from ReSpecTh XML file x40000015_2.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 410.95 K + ignition-delay: + - 2.59 ms + pressure: + - 1.0269 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 30 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.10 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.7125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 3.087e+01] + - 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name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #2 30 bar series point 3 Converted from ReSpecTh XML file x40000015_3.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 410.55 K + ignition-delay: + - 4.75 ms + pressure: + - 1.0938 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 30 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.10 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.7125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 2.927e+01] + - 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[2.432e-01 , 3.315e+00] + - [2.435e-01 , 3.315e+00] + - [2.437e-01 , 3.316e+00] + - [2.440e-01 , 3.317e+00] + - [2.442e-01 , 3.317e+00] + - [2.445e-01 , 3.318e+00] + - [2.447e-01 , 3.318e+00] + - [2.450e-01 , 3.319e+00] + diff --git a/Hydrogen/Das_2012_RCM_mix#2_p_30-4.yaml b/Hydrogen/Das_2012_RCM_mix#2_p_30-4.yaml new file mode 100644 index 0000000..8392c57 --- /dev/null +++ b/Hydrogen/Das_2012_RCM_mix#2_p_30-4.yaml @@ -0,0 +1,1023 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #2 30 bar series point 4 Converted from ReSpecTh XML file x40000015_4.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 410.85 K + ignition-delay: + - 8.09 ms + pressure: + - 1.1780 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 30 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.10 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.7125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 2.768e+01] + - 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Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #2 30 bar series point 5 Converted from ReSpecTh XML file x40000015_5.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 410.85 K + ignition-delay: + - 15.57 ms + pressure: + - 1.2463 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 30 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.10 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.7125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 2.608e+01] + - 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[2.432e-01 , 3.269e+00] + - [2.435e-01 , 3.270e+00] + - [2.437e-01 , 3.271e+00] + - [2.440e-01 , 3.272e+00] + - [2.442e-01 , 3.272e+00] + - [2.445e-01 , 3.272e+00] + - [2.447e-01 , 3.273e+00] + - [2.450e-01 , 3.273e+00] + - [2.452e-01 , 3.274e+00] + - [2.455e-01 , 3.274e+00] + diff --git a/Hydrogen/Das_2012_RCM_mix#2_p_30-6.yaml b/Hydrogen/Das_2012_RCM_mix#2_p_30-6.yaml new file mode 100644 index 0000000..34c0cd1 --- /dev/null +++ b/Hydrogen/Das_2012_RCM_mix#2_p_30-6.yaml @@ -0,0 +1,1004 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #2 30 bar series point 6 Converted from ReSpecTh XML file x40000015_6.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 410.85 K + ignition-delay: + - 29.51 ms + pressure: + - 1.3500 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 30 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.10 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.7125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 2.456e+01] + - 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[2.342e-01 , 3.202e+00] + diff --git a/Hydrogen/Das_2012_RCM_mix#2_p_30-7.yaml b/Hydrogen/Das_2012_RCM_mix#2_p_30-7.yaml new file mode 100644 index 0000000..bdad127 --- /dev/null +++ b/Hydrogen/Das_2012_RCM_mix#2_p_30-7.yaml @@ -0,0 +1,1014 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #2 30 bar series point 7 Converted from ReSpecTh XML file x40000015_7.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 410.65 K + ignition-delay: + - 42.37 ms + pressure: + - 1.4124 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 30 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.10 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.7125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 2.462e+01] + - 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[2.342e-01 , 3.288e+00] + - [2.345e-01 , 3.289e+00] + - [2.347e-01 , 3.289e+00] + - [2.350e-01 , 3.289e+00] + - [2.352e-01 , 3.290e+00] + - [2.355e-01 , 3.290e+00] + - [2.357e-01 , 3.291e+00] + - [2.360e-01 , 3.291e+00] + - [2.362e-01 , 3.291e+00] + - [2.365e-01 , 3.292e+00] + - [2.367e-01 , 3.292e+00] + diff --git a/Hydrogen/Das_2012_RCM_mix#2_p_30-8.yaml b/Hydrogen/Das_2012_RCM_mix#2_p_30-8.yaml new file mode 100644 index 0000000..c6c6765 --- /dev/null +++ b/Hydrogen/Das_2012_RCM_mix#2_p_30-8.yaml @@ -0,0 +1,1007 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #2 30 bar series point 8 Converted from ReSpecTh XML file x40000015_8.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 410.65 K + ignition-delay: + - 62.83 ms + pressure: + - 1.4880 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 30 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.10 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.7125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 2.474e+01] + - 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[2.342e-01 , 3.404e+00] + - [2.345e-01 , 3.404e+00] + - [2.347e-01 , 3.404e+00] + - [2.350e-01 , 3.405e+00] + diff --git a/Hydrogen/Das_2012_RCM_mix#2_p_70-1.yaml b/Hydrogen/Das_2012_RCM_mix#2_p_70-1.yaml new file mode 100644 index 0000000..7e95628 --- /dev/null +++ b/Hydrogen/Das_2012_RCM_mix#2_p_70-1.yaml @@ -0,0 +1,985 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #1 70 bar series point 1 Converted from ReSpecTh XML file x40000013_1.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 400.65 K + ignition-delay: + - 1.34 ms + pressure: + - 2.2437 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 70 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.10 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.7125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 2.390e+01] + - 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[2.252e-01 , 2.607e+00] + - [2.255e-01 , 2.608e+00] + - [2.257e-01 , 2.608e+00] + - [2.260e-01 , 2.609e+00] + - [2.262e-01 , 2.609e+00] + - [2.265e-01 , 2.610e+00] + - [2.267e-01 , 2.610e+00] + - [2.270e-01 , 2.610e+00] + - [2.272e-01 , 2.611e+00] + - [2.275e-01 , 2.611e+00] + - [2.277e-01 , 2.611e+00] + - [2.280e-01 , 2.612e+00] + - [2.282e-01 , 2.612e+00] + - [2.285e-01 , 2.612e+00] + - [2.287e-01 , 2.613e+00] + - [2.290e-01 , 2.613e+00] + - [2.292e-01 , 2.614e+00] + - [2.295e-01 , 2.614e+00] + diff --git a/Hydrogen/Das_2012_RCM_mix#2_p_70-2.yaml b/Hydrogen/Das_2012_RCM_mix#2_p_70-2.yaml new file mode 100644 index 0000000..ac91846 --- /dev/null +++ b/Hydrogen/Das_2012_RCM_mix#2_p_70-2.yaml @@ -0,0 +1,987 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #1 70 bar series point 1 Converted from ReSpecTh XML file x40000013_1.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 400.95 K + ignition-delay: + - 2.52 ms + pressure: + - 2.4381 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 70 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.10 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.7125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 2.402e+01] + - 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Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #1 70 bar series point 1 Converted from ReSpecTh XML file x40000013_1.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 400.85 K + ignition-delay: + - 4.58 ms + pressure: + - 2.5908 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 70 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.10 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.7125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 2.416e+01] + - [2.500e-04 , 2.409e+01] + - [5.000e-04 , 2.401e+01] + - [7.500e-04 , 2.394e+01] + - [1.000e-03 , 2.387e+01] + - [1.250e-03 , 2.379e+01] + - [1.500e-03 , 2.372e+01] + - [1.750e-03 , 2.365e+01] + - [2.000e-03 , 2.358e+01] + - [2.250e-03 , 2.351e+01] + - [2.500e-03 , 2.344e+01] + - [2.750e-03 , 2.337e+01] + - [3.000e-03 , 2.330e+01] + - [3.250e-03 , 2.323e+01] + - [3.500e-03 , 2.316e+01] + - [3.750e-03 , 2.309e+01] + - [4.000e-03 , 2.303e+01] + - [4.250e-03 , 2.296e+01] + - [4.500e-03 , 2.289e+01] + - [4.750e-03 , 2.283e+01] + - [5.000e-03 , 2.276e+01] + - [5.250e-03 , 2.268e+01] + - [5.500e-03 , 2.260e+01] + - [5.750e-03 , 2.250e+01] + - [6.000e-03 , 2.239e+01] + - [6.250e-03 , 2.226e+01] + - [6.500e-03 , 2.212e+01] + - [6.750e-03 , 2.196e+01] + - [7.000e-03 , 2.178e+01] + - [7.250e-03 , 2.159e+01] + - [7.500e-03 , 2.140e+01] + - [7.750e-03 , 2.121e+01] + - [8.000e-03 , 2.102e+01] + - [8.250e-03 , 2.081e+01] + - [8.500e-03 , 2.059e+01] + - [8.750e-03 , 2.038e+01] + - [9.000e-03 , 2.018e+01] + - 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[2.252e-01 , 2.833e+00] + - [2.255e-01 , 2.833e+00] + - [2.257e-01 , 2.834e+00] + - [2.260e-01 , 2.834e+00] + - [2.262e-01 , 2.835e+00] + - [2.265e-01 , 2.835e+00] + - [2.267e-01 , 2.835e+00] + - [2.270e-01 , 2.836e+00] + - [2.272e-01 , 2.836e+00] + - [2.275e-01 , 2.837e+00] + - [2.277e-01 , 2.837e+00] + - [2.280e-01 , 2.838e+00] + - [2.282e-01 , 2.838e+00] + - [2.285e-01 , 2.839e+00] + - [2.287e-01 , 2.839e+00] + - [2.290e-01 , 2.840e+00] + - [2.292e-01 , 2.840e+00] + - [2.295e-01 , 2.841e+00] + diff --git a/Hydrogen/Das_2012_RCM_mix#2_p_70-4.yaml b/Hydrogen/Das_2012_RCM_mix#2_p_70-4.yaml new file mode 100644 index 0000000..7972678 --- /dev/null +++ b/Hydrogen/Das_2012_RCM_mix#2_p_70-4.yaml @@ -0,0 +1,983 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #1 70 bar series point 1 Converted from ReSpecTh XML file x40000013_1.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 400.95 K + ignition-delay: + - 8.51 ms + pressure: + - 2.7530 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 70 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.10 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.7125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 2.428e+01] + - 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[2.252e-01 , 2.989e+00] + - [2.255e-01 , 2.990e+00] + - [2.257e-01 , 2.990e+00] + - [2.260e-01 , 2.991e+00] + - [2.262e-01 , 2.991e+00] + - [2.265e-01 , 2.992e+00] + - [2.267e-01 , 2.993e+00] + - [2.270e-01 , 2.993e+00] + - [2.272e-01 , 2.993e+00] + - [2.275e-01 , 2.994e+00] + - [2.277e-01 , 2.994e+00] + - [2.280e-01 , 2.995e+00] + - [2.282e-01 , 2.995e+00] + - [2.285e-01 , 2.995e+00] + - [2.287e-01 , 2.996e+00] + - [2.290e-01 , 2.996e+00] + diff --git a/Hydrogen/Das_2012_RCM_mix#2_p_70-5.yaml b/Hydrogen/Das_2012_RCM_mix#2_p_70-5.yaml new file mode 100644 index 0000000..5c4fa83 --- /dev/null +++ b/Hydrogen/Das_2012_RCM_mix#2_p_70-5.yaml @@ -0,0 +1,987 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #1 70 bar series point 1 Converted from ReSpecTh XML file x40000013_1.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 401.05 K + ignition-delay: + - 14.20 ms + pressure: + - 2.9374 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 70 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.10 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.7125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 2.440e+01] + - 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[2.252e-01 , 3.084e+00] + - [2.255e-01 , 3.084e+00] + - [2.257e-01 , 3.085e+00] + - [2.260e-01 , 3.085e+00] + - [2.262e-01 , 3.086e+00] + - [2.265e-01 , 3.086e+00] + - [2.267e-01 , 3.087e+00] + - [2.270e-01 , 3.087e+00] + - [2.272e-01 , 3.087e+00] + - [2.275e-01 , 3.088e+00] + - [2.277e-01 , 3.088e+00] + - [2.280e-01 , 3.089e+00] + - [2.282e-01 , 3.089e+00] + - [2.285e-01 , 3.089e+00] + - [2.287e-01 , 3.090e+00] + - [2.290e-01 , 3.090e+00] + - [2.292e-01 , 3.091e+00] + - [2.295e-01 , 3.091e+00] + - [2.297e-01 , 3.092e+00] + - [2.300e-01 , 3.092e+00] + diff --git a/Hydrogen/Das_2012_RCM_mix#2_p_70-6.yaml b/Hydrogen/Das_2012_RCM_mix#2_p_70-6.yaml new file mode 100644 index 0000000..30044d5 --- /dev/null +++ b/Hydrogen/Das_2012_RCM_mix#2_p_70-6.yaml @@ -0,0 +1,993 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #1 70 bar series point 1 Converted from ReSpecTh XML file x40000013_1.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 400.85 K + ignition-delay: + - 23.94 ms + pressure: + - 3.0895 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 70 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.10 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.7125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 2.451e+01] + - 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name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #1 70 bar series point 1 Converted from ReSpecTh XML file x40000013_1.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 400.85 K + ignition-delay: + - 34.83 ms + pressure: + - 3.3134 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 70 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.10 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.7125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 2.464e+01] + - 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name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #3 30 bar series point 1 Converted from ReSpecTh XML file x40000017_1.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 420.85 K + ignition-delay: + - 3.44 ms + pressure: + - 1.0148 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 30 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.40 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.4125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 3.497e+01] + - 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[2.432e-01 , 4.083e+00] + - [2.435e-01 , 4.083e+00] + - [2.437e-01 , 4.084e+00] + - [2.440e-01 , 4.084e+00] + - [2.442e-01 , 4.085e+00] + - [2.445e-01 , 4.085e+00] + - [2.447e-01 , 4.086e+00] + - [2.450e-01 , 4.087e+00] + - [2.452e-01 , 4.088e+00] + - [2.455e-01 , 4.089e+00] + - [2.457e-01 , 4.090e+00] + - [2.460e-01 , 4.091e+00] + - [2.462e-01 , 4.092e+00] + - [2.465e-01 , 4.093e+00] + - [2.467e-01 , 4.094e+00] + diff --git a/Hydrogen/Das_2012_RCM_mix#3_p_30-2.yaml b/Hydrogen/Das_2012_RCM_mix#3_p_30-2.yaml new file mode 100644 index 0000000..3df04b5 --- /dev/null +++ b/Hydrogen/Das_2012_RCM_mix#3_p_30-2.yaml @@ -0,0 +1,1058 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #3 30 bar series point 2 Converted from ReSpecTh XML file x40000017_2.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 420.95 K + ignition-delay: + - 4.63 ms + pressure: + - 1.0488 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 30 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.40 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.4125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 3.419e+01] + - 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[2.432e-01 , 4.000e+00] + - [2.435e-01 , 4.001e+00] + - [2.437e-01 , 4.001e+00] + - [2.440e-01 , 4.002e+00] + - [2.442e-01 , 4.003e+00] + - [2.445e-01 , 4.004e+00] + - [2.447e-01 , 4.004e+00] + - [2.450e-01 , 4.004e+00] + - [2.452e-01 , 4.005e+00] + - [2.455e-01 , 4.005e+00] + - [2.457e-01 , 4.006e+00] + - [2.460e-01 , 4.007e+00] + - [2.462e-01 , 4.008e+00] + - [2.465e-01 , 4.008e+00] + - [2.467e-01 , 4.009e+00] + - [2.470e-01 , 4.010e+00] + - [2.472e-01 , 4.011e+00] + - [2.475e-01 , 4.012e+00] + - [2.477e-01 , 4.013e+00] + diff --git a/Hydrogen/Das_2012_RCM_mix#3_p_30-3.yaml b/Hydrogen/Das_2012_RCM_mix#3_p_30-3.yaml new file mode 100644 index 0000000..c9ca8fa --- /dev/null +++ b/Hydrogen/Das_2012_RCM_mix#3_p_30-3.yaml @@ -0,0 +1,1044 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #3 30 bar series point 3 Converted from ReSpecTh XML file x40000017_3.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 420.95 K + ignition-delay: + - 7.66 ms + pressure: + - 1.1133 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 30 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.40 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.4125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 3.257e+01] + - 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[2.432e-01 , 3.916e+00] + - [2.435e-01 , 3.917e+00] + - [2.437e-01 , 3.918e+00] + - [2.440e-01 , 3.918e+00] + - [2.442e-01 , 3.919e+00] + diff --git a/Hydrogen/Das_2012_RCM_mix#3_p_30-4.yaml b/Hydrogen/Das_2012_RCM_mix#3_p_30-4.yaml new file mode 100644 index 0000000..6a9b220 --- /dev/null +++ b/Hydrogen/Das_2012_RCM_mix#3_p_30-4.yaml @@ -0,0 +1,1139 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #3 30 bar series point 4 Converted from ReSpecTh XML file x40000017_4.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 420.95 K + ignition-delay: + - 13.32 ms + pressure: + - 1.1825 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 30 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.40 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.4125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 3.101e+01] + - 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name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #3 30 bar series point 5 Converted from ReSpecTh XML file x40000017_5.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 420.55 K + ignition-delay: + - 25.22 ms + pressure: + - 1.2510 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 30 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.40 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.4125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 2.938e+01] + - 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name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #3 30 bar series point 6 Converted from ReSpecTh XML file x40000017_6.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 420.75 K + ignition-delay: + - 44.58 ms + pressure: + - 1.3173 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 30 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.40 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.4125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 2.781e+01] + - 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[2.342e-01 , 3.662e+00] + - [2.345e-01 , 3.662e+00] + - [2.347e-01 , 3.663e+00] + - [2.350e-01 , 3.663e+00] + - [2.352e-01 , 3.664e+00] + - [2.355e-01 , 3.665e+00] + - [2.357e-01 , 3.665e+00] + - [2.360e-01 , 3.665e+00] + - [2.362e-01 , 3.666e+00] + - [2.365e-01 , 3.666e+00] + - [2.367e-01 , 3.667e+00] + - [2.370e-01 , 3.667e+00] + diff --git a/Hydrogen/Das_2012_RCM_mix#3_p_70-1.yaml b/Hydrogen/Das_2012_RCM_mix#3_p_70-1.yaml new file mode 100644 index 0000000..6ce2772 --- /dev/null +++ b/Hydrogen/Das_2012_RCM_mix#3_p_70-1.yaml @@ -0,0 +1,1037 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #1 70 bar series point 1 Converted from ReSpecTh XML file x40000013_1.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 411.05 K + ignition-delay: + - 1.72 ms + pressure: + - 2.2070 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 70 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.40 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.4125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 3.058e+01] + - 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name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #1 70 bar series point 1 Converted from ReSpecTh XML file x40000013_1.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 410.85 K + ignition-delay: + - 2.97 ms + pressure: + - 2.3281 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 70 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.40 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.4125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 3.071e+01] + - 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[2.342e-01 , 3.474e+00] + - [2.345e-01 , 3.475e+00] + - [2.347e-01 , 3.475e+00] + - [2.350e-01 , 3.476e+00] + - [2.352e-01 , 3.477e+00] + - [2.355e-01 , 3.477e+00] + diff --git a/Hydrogen/Das_2012_RCM_mix#3_p_70-3.yaml b/Hydrogen/Das_2012_RCM_mix#3_p_70-3.yaml new file mode 100644 index 0000000..8835091 --- /dev/null +++ b/Hydrogen/Das_2012_RCM_mix#3_p_70-3.yaml @@ -0,0 +1,1029 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #1 70 bar series point 1 Converted from ReSpecTh XML file x40000013_1.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 410.85 K + ignition-delay: + - 5.75 ms + pressure: + - 2.4853 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 70 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.40 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.4125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 3.083e+01] + - 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name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #1 70 bar series point 1 Converted from ReSpecTh XML file x40000013_1.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 410.95 K + ignition-delay: + - 8.22 ms + pressure: + - 2.6453 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 70 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.40 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.4125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 3.094e+01] + - 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[2.342e-01 , 3.838e+00] + - [2.345e-01 , 3.839e+00] + - [2.347e-01 , 3.839e+00] + - [2.350e-01 , 3.840e+00] + - [2.352e-01 , 3.841e+00] + - [2.355e-01 , 3.842e+00] + - [2.357e-01 , 3.843e+00] + - [2.360e-01 , 3.843e+00] + - [2.362e-01 , 3.844e+00] + diff --git a/Hydrogen/Das_2012_RCM_mix#3_p_70-5.yaml b/Hydrogen/Das_2012_RCM_mix#3_p_70-5.yaml new file mode 100644 index 0000000..447af7a --- /dev/null +++ b/Hydrogen/Das_2012_RCM_mix#3_p_70-5.yaml @@ -0,0 +1,1018 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #1 70 bar series point 1 Converted from ReSpecTh XML file x40000013_1.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 411.05 K + ignition-delay: + - 13.68 ms + pressure: + - 2.8020 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 70 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.40 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.4125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 3.107e+01] + - 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[2.342e-01 , 3.781e+00] + - [2.345e-01 , 3.781e+00] + - [2.347e-01 , 3.782e+00] + - [2.350e-01 , 3.783e+00] + - [2.352e-01 , 3.783e+00] + - [2.355e-01 , 3.784e+00] + - [2.357e-01 , 3.785e+00] + - [2.360e-01 , 3.785e+00] + - [2.362e-01 , 3.786e+00] + - [2.365e-01 , 3.787e+00] + - [2.367e-01 , 3.787e+00] + - [2.370e-01 , 3.788e+00] + - [2.372e-01 , 3.788e+00] + - [2.375e-01 , 3.789e+00] + - [2.377e-01 , 3.790e+00] + diff --git a/Hydrogen/Das_2012_RCM_mix#3_p_70-6.yaml b/Hydrogen/Das_2012_RCM_mix#3_p_70-6.yaml new file mode 100644 index 0000000..511e6c2 --- /dev/null +++ b/Hydrogen/Das_2012_RCM_mix#3_p_70-6.yaml @@ -0,0 +1,1008 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.01.111 + authors: + - name: A.K. Das + - name: C-J. Sung + - name: Y. Zhang + - name: G. Mittal + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 6901-6911 + detail: Mixture #1 70 bar series point 1 Converted from ReSpecTh XML file x40000013_1.xml +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: rapid compression machine +datapoints: + - temperature: + - 411.15 K + ignition-delay: + - 23.69 ms + pressure: + - 2.9749 bar + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 70 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.40 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.4125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 3.121e+01] + - 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[2.342e-01 , 3.909e+00] + - [2.345e-01 , 3.910e+00] + - [2.347e-01 , 3.911e+00] + - [2.350e-01 , 3.912e+00] + - [2.352e-01 , 3.912e+00] + diff --git a/Hydrogen/DinhThi_2014_ST_mix1_phi_0.3.yaml b/Hydrogen/DinhThi_2014_ST_mix1_phi_0.3.yaml new file mode 100644 index 0000000..19ef74b --- /dev/null +++ b/Hydrogen/DinhThi_2014_ST_mix1_phi_0.3.yaml @@ -0,0 +1,397 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2014.01.170 + authors: + - name: Luong Dinh Thi + ORCID: 0000-0001-9164-890X + - name: Yingjia Zhang + - name: Zuohua Huang + journal: International Journal of Hydrogen Energy + year: 2014 + volume: 39 + pages: 6034-6043 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: State Key Laboratory of Multiphase Flow in Power Engineering, Xi'an Jiaoton University, Xi'an 710049 PR China + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.0158 + - species-name: CO + InChI: 1S/CO/c1-2 + amount: + - 0.0067 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0375 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.94 + pressure-rise: &pres-rise + - 0.0422 1/ms + ignition-type: &ign + target: OH* + type: d/dt max extrapolated +datapoints: + - temperature: + - 1104.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 246.0 us + pressure: + - 1.56 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1040.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 405.0 us + pressure: + - 1.61 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1005.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 620.0 us + pressure: + - 1.78 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1055.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 365.0 us + pressure: + - 1.85 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1147.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 198.0 us + pressure: + - 1.87 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1155.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 196.0 us + pressure: + - 1.88 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 952.5 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1521.0 us + pressure: + - 1.89 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 987.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 677.0 us + pressure: + - 1.91 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1098.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 257.0 us + pressure: + - 1.91 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1064.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 336.0 us + pressure: + - 1.92 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 965.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 893.0 us + pressure: + - 1.92 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1018.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1950.0 us + pressure: + - 9.03 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1111.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 369.0 us + pressure: + - 9.57 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1209.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 60.0 us + pressure: + - 9.63 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1090.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 696.0 us + pressure: + - 9.74 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1121.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 242.0 us + pressure: + - 9.77 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1098.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 610.0 us + pressure: + - 9.77 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1067.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1067.0 us + pressure: + - 9.8 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1151.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 105.0 us + pressure: + - 9.89 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1054.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1727.0 us + pressure: + - 9.91 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1070.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1248.0 us + pressure: + - 9.93 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1097.2 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1161.0 us + pressure: + - 19.62 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1077.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2026.0 us + pressure: + - 19.76 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1171.5 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 317.0 us + pressure: + - 19.96 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1128.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 737.0 us + pressure: + - 19.96 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1149.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 473.0 us + pressure: + - 19.97 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1191.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 169.0 us + pressure: + - 19.98 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1046.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 3080.0 us + pressure: + - 20.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1059.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2952.0 us + pressure: + - 20.28 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + diff --git a/Hydrogen/DinhThi_2014_ST_mix1_phi_1.5.yaml b/Hydrogen/DinhThi_2014_ST_mix1_phi_1.5.yaml new file mode 100644 index 0000000..a0db7e1 --- /dev/null +++ b/Hydrogen/DinhThi_2014_ST_mix1_phi_1.5.yaml @@ -0,0 +1,397 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2014.01.170 + authors: + - name: Luong Dinh Thi + ORCID: 0000-0001-9164-890X + - name: Yingjia Zhang + - name: Zuohua Huang + journal: International Journal of Hydrogen Energy + year: 2014 + volume: 39 + pages: 6034-6043 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: State Key Laboratory of Multiphase Flow in Power Engineering, Xi'an Jiaoton University, Xi'an 710049 PR China + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.0316 + - species-name: CO + InChI: 1S/CO/c1-2 + amount: + - 0.0134 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.015 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.94 + pressure-rise: &pres-rise + - 0.0422 1/ms + ignition-type: &ign + target: OH* + type: d/dt max extrapolated +datapoints: + - temperature: + - 945.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1548.0 us + pressure: + - 1.77 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 919.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 4481.0 us + pressure: + - 1.84 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1002.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 724.0 us + pressure: + - 1.85 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1066.2 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 398.0 us + pressure: + - 1.86 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1159.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 242.0 us + pressure: + - 1.87 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 932.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2341.0 us + pressure: + - 1.92 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1191.2 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 207.0 us + pressure: + - 1.93 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 975.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 984.0 us + pressure: + - 1.93 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1110.2 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 307.0 us + pressure: + - 1.94 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1049.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 454.0 us + pressure: + - 2.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1002.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2748.0 us + pressure: + - 9.03 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1231.2 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 46.0 us + pressure: + - 9.08 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1151.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 111.0 us + pressure: + - 9.19 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1062.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 691.0 us + pressure: + - 9.26 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1040.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1155.0 us + pressure: + - 9.31 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1202.2 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 59.0 us + pressure: + - 9.32 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1124.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 145.0 us + pressure: + - 9.36 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1000.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 3397.0 us + pressure: + - 9.42 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1095.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 285.0 us + pressure: + - 9.51 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1050.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1195.0 us + pressure: + - 9.75 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1121.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 208.0 us + pressure: + - 9.85 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1025.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2374.0 us + pressure: + - 19.27 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1251.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 27.0 us + pressure: + - 19.65 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1170.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 194.0 us + pressure: + - 20.11 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1133.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 438.0 us + pressure: + - 20.19 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1080.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1090.0 us + pressure: + - 20.19 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1194.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 90.0 us + pressure: + - 20.33 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1061.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2099.0 us + pressure: + - 20.39 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1116.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 536.0 us + pressure: + - 20.56 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + diff --git a/Hydrogen/DinhThi_2014_ST_mix1_phi_1.yaml b/Hydrogen/DinhThi_2014_ST_mix1_phi_1.yaml new file mode 100644 index 0000000..40a4d99 --- /dev/null +++ b/Hydrogen/DinhThi_2014_ST_mix1_phi_1.yaml @@ -0,0 +1,457 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2014.01.170 + authors: + - name: Luong Dinh Thi + ORCID: 0000-0001-9164-890X + - name: Yingjia Zhang + - name: Zuohua Huang + journal: International Journal of Hydrogen Energy + year: 2014 + volume: 39 + pages: 6034-6043 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: State Key Laboratory of Multiphase Flow in Power Engineering, Xi'an Jiaoton University, Xi'an 710049 PR China + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.0281 + - species-name: CO + InChI: 1S/CO/c1-2 + amount: + - 0.0119 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.02 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.94 + pressure-rise: &pres-rise + - 0.0422 1/ms + ignition-type: &ign + target: OH* + type: d/dt max extrapolated +datapoints: + - temperature: + - 1161.2 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 239.0 us + pressure: + - 1.5 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 911.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 3966.0 us + pressure: + - 1.7 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1025.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 491.0 us + pressure: + - 1.7 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1140.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 246.0 us + pressure: + - 1.73 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 978.5 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1495.0 us + pressure: + - 1.74 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1050.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 428.0 us + pressure: + - 1.74 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1035.2 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 496.0 us + pressure: + - 1.75 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 902.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 6296.0 us + pressure: + - 1.82 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1109.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 281.0 us + pressure: + - 1.82 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1107.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 314.0 us + pressure: + - 1.83 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 985.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 835.0 us + pressure: + - 1.86 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 932.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1513.0 us + pressure: + - 1.86 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 944.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2097.0 us + pressure: + - 1.87 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 963.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1227.0 us + pressure: + - 1.88 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1178.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 69.0 us + pressure: + - 9.1 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1264.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 39.0 us + pressure: + - 9.13 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1061.5 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1023.0 us + pressure: + - 9.24 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1116.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 170.0 us + pressure: + - 9.31 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1089.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 495.0 us + pressure: + - 9.32 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1173.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 74.0 us + pressure: + - 9.45 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 937.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 3804.0 us + pressure: + - 9.54 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1164.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 97.0 us + pressure: + - 9.59 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1045.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1434.0 us + pressure: + - 9.63 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1102.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 248.0 us + pressure: + - 9.64 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1020.5 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2574.0 us + pressure: + - 9.98 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1024.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 4697.0 us + pressure: + - 17.24 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1182.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 97.0 us + pressure: + - 19.49 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1155.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 198.0 us + pressure: + - 19.59 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1039.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2126.0 us + pressure: + - 19.96 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1140.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 366.0 us + pressure: + - 20.02 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1126.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 568.0 us + pressure: + - 20.15 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1152.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 242.0 us + pressure: + - 20.21 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1097.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 980.0 us + pressure: + - 20.3 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1035.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 3079.0 us + pressure: + - 20.36 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + diff --git a/Hydrogen/DinhThi_2014_ST_mix2_phi_0.3.yaml b/Hydrogen/DinhThi_2014_ST_mix2_phi_0.3.yaml new file mode 100644 index 0000000..3acaaf5 --- /dev/null +++ b/Hydrogen/DinhThi_2014_ST_mix2_phi_0.3.yaml @@ -0,0 +1,409 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2014.01.170 + authors: + - name: Luong Dinh Thi + ORCID: 0000-0001-9164-890X + - name: Yingjia Zhang + - name: Zuohua Huang + journal: International Journal of Hydrogen Energy + year: 2014 + volume: 39 + pages: 6034-6043 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: State Key Laboratory of Multiphase Flow in Power Engineering, Xi'an Jiaoton University, Xi'an 710049 PR China + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.0075 + - species-name: CO + InChI: 1S/CO/c1-2 + amount: + - 0.0150 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0375 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.94 + pressure-rise: &pres-rise + - 0.0422 1/ms + ignition-type: &ign + target: OH* + type: d/dt max extrapolated +datapoints: + - temperature: + - 1255.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 196.0 us + pressure: + - 1.44 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1032.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 581.0 us + pressure: + - 1.71 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 946.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1875.0 us + pressure: + - 1.72 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1003.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 803.0 us + pressure: + - 1.8 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1142.5 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 300.0 us + pressure: + - 1.87 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1095.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 376.0 us + pressure: + - 1.9 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1062.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 440.0 us + pressure: + - 1.94 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 977.5 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1075.0 us + pressure: + - 1.95 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 926.2 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2384.0 us + pressure: + - 1.97 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 913.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 3340.0 us + pressure: + - 1.98 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 934.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2464.0 us + pressure: + - 1.98 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1253.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 51.0 us + pressure: + - 9.47 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1204.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 88.0 us + pressure: + - 9.72 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1177.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 119.0 us + pressure: + - 9.73 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1070.2 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1257.0 us + pressure: + - 9.73 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1066.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1592.0 us + pressure: + - 9.8 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1105.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 581.0 us + pressure: + - 9.91 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1151.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 195.0 us + pressure: + - 9.91 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1021.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2939.0 us + pressure: + - 9.93 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1123.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 329.0 us + pressure: + - 9.98 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1058.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2073.0 us + pressure: + - 10.04 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1043.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2426.0 us + pressure: + - 10.12 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1041.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2973.0 us + pressure: + - 10.25 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1122.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1593.0 us + pressure: + - 18.87 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1077.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2033.0 us + pressure: + - 19.15 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1144.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 591.0 us + pressure: + - 19.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1115.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1292.0 us + pressure: + - 19.27 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1215.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 93.0 us + pressure: + - 19.93 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1082.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1835.0 us + pressure: + - 19.97 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1187.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 196.0 us + pressure: + - 20.38 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + diff --git a/Hydrogen/DinhThi_2014_ST_mix2_phi_1.5.yaml b/Hydrogen/DinhThi_2014_ST_mix2_phi_1.5.yaml new file mode 100644 index 0000000..19c46e2 --- /dev/null +++ b/Hydrogen/DinhThi_2014_ST_mix2_phi_1.5.yaml @@ -0,0 +1,397 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2014.01.170 + authors: + - name: Luong Dinh Thi + ORCID: 0000-0001-9164-890X + - name: Yingjia Zhang + - name: Zuohua Huang + journal: International Journal of Hydrogen Energy + year: 2014 + volume: 39 + pages: 6034-6043 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: State Key Laboratory of Multiphase Flow in Power Engineering, Xi'an Jiaoton University, Xi'an 710049 PR China + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.015 + - species-name: CO + InChI: 1S/CO/c1-2 + amount: + - 0.03 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.015 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.94 + pressure-rise: &pres-rise + - 0.0422 1/ms + ignition-type: &ign + target: OH* + type: d/dt max extrapolated +datapoints: + - temperature: + - 1175.2 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 262.0 us + pressure: + - 1.74 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1083.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 452.0 us + pressure: + - 1.74 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1227.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 212.0 us + pressure: + - 1.74 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 994.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 972.0 us + pressure: + - 1.77 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 945.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1528.0 us + pressure: + - 1.8 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1122.5 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 372.0 us + pressure: + - 1.85 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 898.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 5297.0 us + pressure: + - 1.86 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 984.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 940.0 us + pressure: + - 1.89 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1053.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 509.0 us + pressure: + - 1.89 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 924.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2597.0 us + pressure: + - 1.91 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 910.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 3608.0 us + pressure: + - 1.97 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 909.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 3337.0 us + pressure: + - 2.05 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1122.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 205.0 us + pressure: + - 9.44 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1098.2 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 372.0 us + pressure: + - 9.51 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1010.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 3210.0 us + pressure: + - 9.61 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1070.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 570.0 us + pressure: + - 9.68 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1073.2 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 652.0 us + pressure: + - 9.8 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1050.5 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1043.0 us + pressure: + - 9.83 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1147.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 144.0 us + pressure: + - 9.84 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1045.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1316.0 us + pressure: + - 9.87 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1039.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1545.0 us + pressure: + - 9.89 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1221.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 68.0 us + pressure: + - 9.96 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1188.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 83.0 us + pressure: + - 10.14 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1101.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 899.0 us + pressure: + - 19.56 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1162.2 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 156.0 us + pressure: + - 19.73 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1133.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 321.0 us + pressure: + - 19.94 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1046.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 3443.0 us + pressure: + - 20.21 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1082.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1611.0 us + pressure: + - 20.24 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1247.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 37.0 us + pressure: + - 21.06 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + diff --git a/Hydrogen/DinhThi_2014_ST_mix2_phi_1.yaml b/Hydrogen/DinhThi_2014_ST_mix2_phi_1.yaml new file mode 100644 index 0000000..0103405 --- /dev/null +++ b/Hydrogen/DinhThi_2014_ST_mix2_phi_1.yaml @@ -0,0 +1,397 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2014.01.170 + authors: + - name: Luong Dinh Thi + ORCID: 0000-0001-9164-890X + - name: Yingjia Zhang + - name: Zuohua Huang + journal: International Journal of Hydrogen Energy + year: 2014 + volume: 39 + pages: 6034-6043 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: State Key Laboratory of Multiphase Flow in Power Engineering, Xi'an Jiaoton University, Xi'an 710049 PR China + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.0133 + - species-name: CO + InChI: 1S/CO/c1-2 + amount: + - 0.0267 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.02 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.94 + pressure-rise: &pres-rise + - 0.0422 1/ms + ignition-type: &ign + target: OH* + type: d/dt max extrapolated +datapoints: + - temperature: + - 1010.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 678.0 us + pressure: + - 1.73 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 922.5 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2521.0 us + pressure: + - 1.75 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1151.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 300.0 us + pressure: + - 1.82 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 953.5 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1422.0 us + pressure: + - 1.84 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1060.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 437.0 us + pressure: + - 1.87 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1025.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 682.0 us + pressure: + - 1.89 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1200.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 219.0 us + pressure: + - 1.91 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 902.5 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 4060.0 us + pressure: + - 1.92 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1100.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 383.0 us + pressure: + - 1.93 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 896.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 4742.0 us + pressure: + - 1.95 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 907.5 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 3133.0 us + pressure: + - 1.95 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1012.2 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 3090.0 us + pressure: + - 8.54 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1047.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1127.0 us + pressure: + - 9.01 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1100.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 365.0 us + pressure: + - 9.57 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1027.5 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1979.0 us + pressure: + - 9.61 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1012.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 3386.0 us + pressure: + - 9.69 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1048.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1282.0 us + pressure: + - 9.84 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1055.2 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1083.0 us + pressure: + - 9.93 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1202.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 83.0 us + pressure: + - 9.94 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1114.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 240.0 us + pressure: + - 9.95 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1087.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 471.0 us + pressure: + - 10.01 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1167.2 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 96.0 us + pressure: + - 10.09 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1153.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 125.0 us + pressure: + - 10.21 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1064.5 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2466.0 us + pressure: + - 19.24 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1101.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1350.0 us + pressure: + - 19.76 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1133.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 441.0 us + pressure: + - 19.8 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1048.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 3370.0 us + pressure: + - 19.86 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1233.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 56.0 us + pressure: + - 20.19 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1189.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 96.0 us + pressure: + - 20.49 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + diff --git a/Hydrogen/DinhThi_2014_ST_mix3_phi_0.3.yaml b/Hydrogen/DinhThi_2014_ST_mix3_phi_0.3.yaml new file mode 100644 index 0000000..1dd019e --- /dev/null +++ b/Hydrogen/DinhThi_2014_ST_mix3_phi_0.3.yaml @@ -0,0 +1,437 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2014.01.170 + authors: + - name: Luong Dinh Thi + ORCID: 0000-0001-9164-890X + - name: Yingjia Zhang + - name: Zuohua Huang + journal: International Journal of Hydrogen Energy + year: 2014 + volume: 39 + pages: 6034-6043 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: State Key Laboratory of Multiphase Flow in Power Engineering, Xi'an Jiaoton University, Xi'an 710049 PR China + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.0096 + - species-name: CO + InChI: 1S/CO/c1-2 + amount: + - 0.0098 + - species-name: CO2 + InChI: 1S/CO2/c2-1-3 + amount: + - 0.0083 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0323 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.94 + pressure-rise: &pres-rise + - 0.0422 1/ms + ignition-type: &ign + target: OH* + type: d/dt max extrapolated +datapoints: + - temperature: + - 938.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1491.0 us + pressure: + - 1.78 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1008.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 739.0 us + pressure: + - 1.81 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1057.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 435.0 us + pressure: + - 1.83 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1169.5 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 248.0 us + pressure: + - 1.84 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 938.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2377.0 us + pressure: + - 1.86 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1010.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 680.0 us + pressure: + - 1.87 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 939.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2462.0 us + pressure: + - 1.9 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1132.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 284.0 us + pressure: + - 1.91 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 957.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1454.0 us + pressure: + - 1.92 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 924.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 3470.0 us + pressure: + - 1.93 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1211.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 952.0 us + pressure: + - 1.94 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1083.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 342.0 us + pressure: + - 1.96 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1090.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 823.0 us + pressure: + - 9.43 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1195.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 87.0 us + pressure: + - 9.58 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1082.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 991.0 us + pressure: + - 9.67 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1259.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 45.0 us + pressure: + - 9.72 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1112.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 372.0 us + pressure: + - 9.75 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1143.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 175.0 us + pressure: + - 9.88 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1032.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 3037.0 us + pressure: + - 9.89 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1081.5 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1167.0 us + pressure: + - 10.04 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1196.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 85.0 us + pressure: + - 10.09 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1056.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1974.0 us + pressure: + - 10.16 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1157.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 136.0 us + pressure: + - 10.17 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1034.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 3289.0 us + pressure: + - 10.17 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1149.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 533.0 us + pressure: + - 17.92 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1202.5 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 128.0 us + pressure: + - 19.68 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1114.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1314.0 us + pressure: + - 20.04 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1039.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2899.0 us + pressure: + - 20.1 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1161.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 379.0 us + pressure: + - 20.26 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1070.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2460.0 us + pressure: + - 20.35 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1094.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1876.0 us + pressure: + - 20.42 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1242.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 52.0 us + pressure: + - 20.43 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + diff --git a/Hydrogen/DinhThi_2014_ST_mix3_phi_1.5.yaml b/Hydrogen/DinhThi_2014_ST_mix3_phi_1.5.yaml new file mode 100644 index 0000000..039be78 --- /dev/null +++ b/Hydrogen/DinhThi_2014_ST_mix3_phi_1.5.yaml @@ -0,0 +1,413 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2014.01.170 + authors: + - name: Luong Dinh Thi + ORCID: 0000-0001-9164-890X + - name: Yingjia Zhang + - name: Zuohua Huang + journal: International Journal of Hydrogen Energy + year: 2014 + volume: 39 + pages: 6034-6043 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: State Key Laboratory of Multiphase Flow in Power Engineering, Xi'an Jiaoton University, Xi'an 710049 PR China + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.0168 + - species-name: CO + InChI: 1S/CO/c1-2 + amount: + - 0.0172 + - species-name: CO2 + InChI: 1S/CO2/c2-1-3 + amount: + - 0.0146 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0113 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.9401 + pressure-rise: &pres-rise + - 0.0422 1/ms + ignition-type: &ign + target: OH* + type: d/dt max extrapolated +datapoints: + - temperature: + - 1072.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 546.0 us + pressure: + - 1.81 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1024.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 744.0 us + pressure: + - 1.84 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1167.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 312.0 us + pressure: + - 1.85 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 921.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2851.0 us + pressure: + - 1.87 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 980.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1203.0 us + pressure: + - 1.9 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1009.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 795.0 us + pressure: + - 1.91 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 947.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1850.0 us + pressure: + - 1.93 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1124.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 390.0 us + pressure: + - 1.94 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 920.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 3577.0 us + pressure: + - 1.99 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1212.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 79.0 us + pressure: + - 9.67 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1083.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 591.0 us + pressure: + - 9.72 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1023.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2609.0 us + pressure: + - 9.73 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1194.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 99.0 us + pressure: + - 9.79 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1073.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 817.0 us + pressure: + - 9.88 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1118.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 280.0 us + pressure: + - 9.91 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1032.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2267.0 us + pressure: + - 10.01 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1022.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 3335.0 us + pressure: + - 10.02 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1081.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 670.0 us + pressure: + - 10.02 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1145.2 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 199.0 us + pressure: + - 10.09 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1027.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2978.0 us + pressure: + - 10.15 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1181.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 109.0 us + pressure: + - 10.24 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 999.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2467.0 us + pressure: + - 10.38 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1042.5 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2768.0 us + pressure: + - 19.35 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1152.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 305.0 us + pressure: + - 19.84 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1189.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 117.0 us + pressure: + - 20.1 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1070.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2135.0 us + pressure: + - 20.13 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1096.2 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1236.0 us + pressure: + - 20.43 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1221.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 66.0 us + pressure: + - 20.59 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1107.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 806.0 us + pressure: + - 20.61 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1150.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 338.0 us + pressure: + - 20.68 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + diff --git a/Hydrogen/DinhThi_2014_ST_mix3_phi_1.yaml b/Hydrogen/DinhThi_2014_ST_mix3_phi_1.yaml new file mode 100644 index 0000000..938a0d4 --- /dev/null +++ b/Hydrogen/DinhThi_2014_ST_mix3_phi_1.yaml @@ -0,0 +1,413 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2014.01.170 + authors: + - name: Luong Dinh Thi + ORCID: 0000-0001-9164-890X + - name: Yingjia Zhang + - name: Zuohua Huang + journal: International Journal of Hydrogen Energy + year: 2014 + volume: 39 + pages: 6034-6043 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: State Key Laboratory of Multiphase Flow in Power Engineering, Xi'an Jiaoton University, Xi'an 710049 PR China + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.0154 + - species-name: CO + InChI: 1S/CO/c1-2 + amount: + - 0.0157 + - species-name: CO2 + InChI: 1S/CO2/c2-1-3 + amount: + - 0.0134 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0155 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.94 + pressure-rise: &pres-rise + - 0.0422 1/ms + ignition-type: &ign + target: OH* + type: d/dt max extrapolated +datapoints: + - temperature: + - 1064.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 513.0 us + pressure: + - 1.79 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 967.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1205.0 us + pressure: + - 1.81 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1200.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 253.0 us + pressure: + - 1.81 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1118.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 376.0 us + pressure: + - 1.82 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 919.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 3166.0 us + pressure: + - 1.88 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 915.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 3123.0 us + pressure: + - 1.88 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 958.5 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1652.0 us + pressure: + - 1.89 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1004.5 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 787.0 us + pressure: + - 1.91 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1037.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 629.0 us + pressure: + - 1.91 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 968.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1360.0 us + pressure: + - 1.96 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1100.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 390.0 us + pressure: + - 1.97 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1036.2 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1630.0 us + pressure: + - 8.17 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1101.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 500.0 us + pressure: + - 9.63 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1121.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 288.0 us + pressure: + - 9.65 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1205.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 78.0 us + pressure: + - 9.72 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1055.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1382.0 us + pressure: + - 9.75 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1257.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 55.0 us + pressure: + - 9.76 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1164.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 128.0 us + pressure: + - 9.79 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1063.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 868.0 us + pressure: + - 9.85 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1015.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2835.0 us + pressure: + - 10.09 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1026.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 3022.0 us + pressure: + - 10.22 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1051.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2841.0 us + pressure: + - 19.26 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1107.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 696.0 us + pressure: + - 19.49 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1126.5 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 341.0 us + pressure: + - 19.66 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1185.5 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 120.0 us + pressure: + - 19.84 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1151.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 256.0 us + pressure: + - 20.01 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1238.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 47.0 us + pressure: + - 20.19 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1103.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1115.0 us + pressure: + - 20.22 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1067.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2645.0 us + pressure: + - 20.28 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1189.2 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 130.0 us + pressure: + - 20.48 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + diff --git a/Hydrogen/DinhThi_2014_ST_mix4_phi_0.3.yaml b/Hydrogen/DinhThi_2014_ST_mix4_phi_0.3.yaml new file mode 100644 index 0000000..f767f91 --- /dev/null +++ b/Hydrogen/DinhThi_2014_ST_mix4_phi_0.3.yaml @@ -0,0 +1,401 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2014.01.170 + authors: + - name: Luong Dinh Thi + ORCID: 0000-0001-9164-890X + - name: Yingjia Zhang + - name: Zuohua Huang + journal: International Journal of Hydrogen Energy + year: 2014 + volume: 39 + pages: 6034-6043 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: State Key Laboratory of Multiphase Flow in Power Engineering, Xi'an Jiaoton University, Xi'an 710049 PR China + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.004 + - species-name: CO + InChI: 1S/CO/c1-2 + amount: + - 0.0109 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0249 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.0202 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.94 + pressure-rise: &pres-rise + - 0.0422 1/ms + ignition-type: &ign + target: OH* + type: d/dt max extrapolated +datapoints: + - temperature: + - 917.5 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 4448.0 us + pressure: + - 1.79 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1133.2 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 435.0 us + pressure: + - 1.83 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 998.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1047.0 us + pressure: + - 1.83 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1107.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 490.0 us + pressure: + - 1.87 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 939.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2879.0 us + pressure: + - 1.88 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1181.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 340.0 us + pressure: + - 1.9 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 952.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2276.0 us + pressure: + - 1.91 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 962.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1545.0 us + pressure: + - 1.92 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1037.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 698.0 us + pressure: + - 1.92 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1025.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 854.0 us + pressure: + - 1.93 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1084.5 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 554.0 us + pressure: + - 1.98 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1076.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1256.0 us + pressure: + - 9.73 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1284.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 64.0 us + pressure: + - 9.88 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1227.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 87.0 us + pressure: + - 9.88 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1123.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 471.0 us + pressure: + - 9.88 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1071.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1512.0 us + pressure: + - 9.96 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1054.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2230.0 us + pressure: + - 10.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1183.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 155.0 us + pressure: + - 10.01 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1137.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 286.0 us + pressure: + - 10.06 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1165.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 336.6 us + pressure: + - 11.54 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1047.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2571.0 us + pressure: + - 17.17 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1084.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1794.0 us + pressure: + - 19.3 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1217.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 181.0 us + pressure: + - 19.63 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1231.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 129.0 us + pressure: + - 19.69 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1121.2 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1283.0 us + pressure: + - 19.98 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1210.2 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 217.0 us + pressure: + - 20.16 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1075.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2324.0 us + pressure: + - 20.23 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1183.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 456.0 us + pressure: + - 20.24 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1167.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 609.0 us + pressure: + - 20.69 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + diff --git a/Hydrogen/DinhThi_2014_ST_mix4_phi_1.5.yaml b/Hydrogen/DinhThi_2014_ST_mix4_phi_1.5.yaml new file mode 100644 index 0000000..2bbd305 --- /dev/null +++ b/Hydrogen/DinhThi_2014_ST_mix4_phi_1.5.yaml @@ -0,0 +1,425 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2014.01.170 + authors: + - name: Luong Dinh Thi + ORCID: 0000-0001-9164-890X + - name: Yingjia Zhang + - name: Zuohua Huang + journal: International Journal of Hydrogen Energy + year: 2014 + volume: 39 + pages: 6034-6043 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: State Key Laboratory of Multiphase Flow in Power Engineering, Xi'an Jiaoton University, Xi'an 710049 PR China + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.006 + - species-name: CO + InChI: 1S/CO/c1-2 + amount: + - 0.0163 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0074 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.0302 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.9401 + pressure-rise: &pres-rise + - 0.0422 1/ms + ignition-type: &ign + target: OH* + type: d/dt max extrapolated +datapoints: + - temperature: + - 1108.5 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 650.0 us + pressure: + - 1.75 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 964.2 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2200.0 us + pressure: + - 1.83 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1175.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 437.0 us + pressure: + - 1.88 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1142.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 568.0 us + pressure: + - 1.89 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1006.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1330.0 us + pressure: + - 1.9 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 939.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 4301.0 us + pressure: + - 1.91 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1039.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1017.0 us + pressure: + - 1.94 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1008.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1325.0 us + pressure: + - 1.94 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1066.5 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 804.0 us + pressure: + - 1.95 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 943.5 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2902.0 us + pressure: + - 1.96 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 940.2 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2881.0 us + pressure: + - 1.98 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1135.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 269.0 us + pressure: + - 9.31 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1117.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 442.0 us + pressure: + - 9.63 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1067.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1310.0 us + pressure: + - 9.67 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1014.2 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 3254.0 us + pressure: + - 9.91 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1200.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 151.0 us + pressure: + - 9.97 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1229.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 120.0 us + pressure: + - 9.97 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1000.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 3215.0 us + pressure: + - 10.05 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1098.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 527.0 us + pressure: + - 10.09 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1051.2 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1822.0 us + pressure: + - 10.15 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1268.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 98.0 us + pressure: + - 10.17 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1006.5 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 3496.0 us + pressure: + - 10.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1032.5 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2854.0 us + pressure: + - 10.26 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1100.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 898.0 us + pressure: + - 19.65 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1226.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 99.0 us + pressure: + - 19.74 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1133.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 832.0 us + pressure: + - 19.97 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1174.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 246.0 us + pressure: + - 20.18 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1073.2 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2545.0 us + pressure: + - 20.29 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1184.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 208.0 us + pressure: + - 20.42 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1104.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1578.0 us + pressure: + - 20.52 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + - temperature: + - 1098.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2253.0 us + pressure: + - 20.85 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.5 + diff --git a/Hydrogen/DinhThi_2014_ST_mix4_phi_1.yaml b/Hydrogen/DinhThi_2014_ST_mix4_phi_1.yaml new file mode 100644 index 0000000..9d326e6 --- /dev/null +++ b/Hydrogen/DinhThi_2014_ST_mix4_phi_1.yaml @@ -0,0 +1,412 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2014.01.170 + authors: + - name: Luong Dinh Thi + ORCID: 0000-0001-9164-890X + - name: Yingjia Zhang + - name: Zuohua Huang + journal: International Journal of Hydrogen Energy + year: 2014 + volume: 39 + pages: 6034-6043 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: State Key Laboratory of Multiphase Flow in Power Engineering, Xi'an Jiaoton University, Xi'an 710049 PR China + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.0056 + - species-name: CO + InChI: 1S/CO/c1-2 + amount: + - 0.0154 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0105 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.0285 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.94 + pressure-rise: &pres-rise + - 0.0422 1/ms + ignition-type: &ign + target: OH* + type: d/dt max extrapolated +datapoints: + - temperature: + - 996.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1375.0 us + pressure: + - 1.78 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 958.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1889.0 us + pressure: + - 1.79 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1040.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 869.0 us + pressure: + - 1.79 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 961.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2053.0 us + pressure: + - 1.81 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 925.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 3577.0 us + pressure: + - 1.84 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1149.5 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 478.0 us + pressure: + - 1.84 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 928.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2989.0 us + pressure: + - 1.86 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1042.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 911.0 us + pressure: + - 1.91 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1140.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 531.0 us + pressure: + - 1.97 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1089.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 625.0 us + pressure: + - 1.98 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1117.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 572.0 us + pressure: + - 1.98 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 956.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2294.0 us + pressure: + - 1.98 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1162.3 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 219.0 us + pressure: + - 9.55 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1171.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 185.0 us + pressure: + - 9.65 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1128.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 327.0 us + pressure: + - 9.72 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1307.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 70.0 us + pressure: + - 9.75 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1256.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 93.0 us + pressure: + - 9.76 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1096.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 583.0 us + pressure: + - 9.8 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1022.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 3156.0 us + pressure: + - 9.88 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1157.6 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 217.0 us + pressure: + - 9.95 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1078.2 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 788.0 us + pressure: + - 10.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1220.2 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 120.0 us + pressure: + - 10.25 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1049.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1891.0 us + pressure: + - 10.25 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1244.1 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 77.0 us + pressure: + - 19.42 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1221.8 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 112.0 us + pressure: + - 19.61 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1138.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 766.0 us + pressure: + - 19.87 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1087.7 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 2350.0 us + pressure: + - 19.95 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1207.9 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 156.0 us + pressure: + - 19.97 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1117.0 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 1368.0 us + pressure: + - 20.22 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1184.4 K + - uncertainty-type: absolute + uncertainty: 16 K + ignition-delay: + - 279.0 us + pressure: + - 20.53 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 diff --git a/Hydrogen/Fujimoto_1967_ST_OH.yaml b/Hydrogen/Fujimoto_1967_ST_OH.yaml new file mode 100644 index 0000000..c42487f --- /dev/null +++ b/Hydrogen/Fujimoto_1967_ST_OH.yaml @@ -0,0 +1,168 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + authors: + - name: S. Fujimoto + - name: M. Suzuki + journal: Memoirs of the Defense Academy + year: 1967 + pages: 1037-1046 + detail: Volume-VII.3 Table 1 [Converted from ReSpecTh XML file x10000006.xml] +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Defense Academy, Japan + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.2 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.1 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.7 + ignition-type: &ign + target: OH + type: max +datapoints: + - temperature: + - 835 K + ignition-delay: + - 2227 us + pressure: + - 1270 torr + composition: *comp + ignition-type: *ign + - temperature: + - 866 K + ignition-delay: + - 2019 us + pressure: + - 685 torr + composition: *comp + ignition-type: *ign + - temperature: + - 886 K + ignition-delay: + - 1525 us + pressure: + - 701 torr + composition: *comp + ignition-type: *ign + - temperature: + - 910 K + ignition-delay: + - 1302 us + pressure: + - 750 torr + composition: *comp + ignition-type: *ign + - temperature: + - 920 K + ignition-delay: + - 1059 us + pressure: + - 765 torr + composition: *comp + ignition-type: *ign + - temperature: + - 945 K + ignition-delay: + - 1014 us + pressure: + - 810 torr + composition: *comp + ignition-type: *ign + - temperature: + - 980 K + ignition-delay: + - 888 us + pressure: + - 870 torr + composition: *comp + ignition-type: *ign + - temperature: + - 1045 K + ignition-delay: + - 543 us + pressure: + - 985 torr + composition: *comp + ignition-type: *ign + - temperature: + - 1120 K + ignition-delay: + - 177 us + pressure: + - 1115 torr + composition: *comp + ignition-type: *ign + - temperature: + - 1200 K + ignition-delay: + - 156 us + pressure: + - 1260 torr + composition: *comp + ignition-type: *ign + - temperature: + - 1225 K + ignition-delay: + - 130 us + pressure: + - 1310 torr + composition: *comp + ignition-type: *ign + - temperature: + - 1240 K + ignition-delay: + - 143 us + pressure: + - 1335 torr + composition: *comp + ignition-type: *ign + - temperature: + - 1250 K + ignition-delay: + - 115 us + pressure: + - 1365 torr + composition: *comp + ignition-type: *ign + - temperature: + - 1280 K + ignition-delay: + - 109 us + pressure: + - 1410 torr + composition: *comp + ignition-type: *ign + - temperature: + - 1300 K + ignition-delay: + - 117 us + pressure: + - 1455 torr + composition: *comp + ignition-type: *ign + - temperature: + - 1335 K + ignition-delay: + - 84 us + pressure: + - 1525 torr + composition: *comp + ignition-type: *ign + diff --git a/Hydrogen/Fujimoto_1967_ST_P.yaml b/Hydrogen/Fujimoto_1967_ST_P.yaml new file mode 100644 index 0000000..ea0a532 --- /dev/null +++ b/Hydrogen/Fujimoto_1967_ST_P.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + authors: + - name: S. Fujimoto + - name: M. Suzuki + journal: Memoirs of the Defense Academy + year: 1967 + pages: 1037-1046 + detail: Volume-VII.3 Table 1 [Converted from ReSpecTh XML file x10000007.xml] +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Defense Academy, Japan + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.2 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.1 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.7 + ignition-type: &ign + target: pressure + type: d/dt max +datapoints: + - temperature: + - 890 K + ignition-delay: + - 1220 us + pressure: + - 1440 torr + composition: *comp + ignition-type: *ign + - temperature: + - 925 K + ignition-delay: + - 1141 us + pressure: + - 1550 torr + composition: *comp + ignition-type: *ign + - temperature: + - 942 K + ignition-delay: + - 1164 us + pressure: + - 1600 torr + composition: *comp + ignition-type: *ign + - temperature: + - 950 K + ignition-delay: + - 1120 us + pressure: + - 1640 torr + composition: *comp + ignition-type: *ign + - temperature: + - 957 K + ignition-delay: + - 1020 us + pressure: + - 1660 torr + composition: *comp + ignition-type: *ign + - temperature: + - 980 K + ignition-delay: + - 958 us + pressure: + - 1720 torr + composition: *comp + ignition-type: *ign + - temperature: + - 980 K + ignition-delay: + - 630 us + pressure: + - 1730 torr + composition: *comp + ignition-type: *ign + - temperature: + - 990 K + ignition-delay: + - 624 us + pressure: + - 1770 torr + composition: *comp + ignition-type: *ign + - temperature: + - 1000 K + ignition-delay: + - 160 us + pressure: + - 1800 torr + - temperature: + - 1005 K + ignition-delay: + - 158 us + pressure: + - 1805 torr + composition: *comp + ignition-type: *ign + - temperature: + - 1015 K + ignition-delay: + - 190 us + pressure: + - 1840 torr + composition: *comp + ignition-type: *ign + - temperature: + - 1018 K + ignition-delay: + - 179 us + pressure: + - 1860 torr + composition: *comp + ignition-type: *ign + - temperature: + - 1023 K + ignition-delay: + - 160 us + pressure: + - 1880 torr + composition: *comp + ignition-type: *ign + - temperature: + - 1042 K + ignition-delay: + - 120 us + pressure: + - 1960 torr + composition: *comp + ignition-type: *ign + - temperature: + - 1060 K + ignition-delay: + - 126 us + pressure: + - 2030 torr + composition: *comp + ignition-type: *ign + - temperature: + - 1063 K + ignition-delay: + - 120 us + pressure: + - 2045 torr + composition: *comp + ignition-type: *ign + - temperature: + - 1076 K + ignition-delay: + - 138 us + pressure: + - 2080 torr + composition: *comp + ignition-type: *ign + \ No newline at end of file diff --git a/Hydrogen/Herzler_2009_ST_mix1_phi_0.5.yaml b/Hydrogen/Herzler_2009_ST_mix1_phi_0.5.yaml new file mode 100644 index 0000000..5d2c21d --- /dev/null +++ b/Hydrogen/Herzler_2009_ST_mix1_phi_0.5.yaml @@ -0,0 +1,311 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.proci.2008.07.034 + authors: + - name: J. Herzler + - name: C. Naumann + journal: Proceedings of the Combustion Institute + year: 2009 + volume: 32 + pages: 213-220 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Institut fur Verbennungstechnik, Deutsches Zentrum fur luft-und Raumfahrt, Pfaffenwaldring 38-40, D-70569 Stuttdart, Germany + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.034603 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.034900 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.930497 + ignition-type: &ign + target: OH* + type: d/dt max +datapoints: + - temperature: + - 1018.0 K + ignition-delay: + - 4250.0 us + pressure: + - 15.43 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1021.0 K + ignition-delay: + - 4010.0 us + pressure: + - 15.97 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1035.0 K + ignition-delay: + - 3340.0 us + pressure: + - 16.21 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1050.0 K + ignition-delay: + - 2680.0 us + pressure: + - 16.1 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1068.0 K + ignition-delay: + - 1730.0 us + pressure: + - 16.09 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1078.0 K + ignition-delay: + - 1360.0 us + pressure: + - 15.13 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1087.0 K + ignition-delay: + - 1250.0 us + pressure: + - 15.73 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1106.0 K + ignition-delay: + - 678.0 us + pressure: + - 16.37 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1109.0 K + ignition-delay: + - 707.0 us + pressure: + - 15.99 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1116.0 K + ignition-delay: + - 538.0 us + pressure: + - 16.15 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1120.0 K + ignition-delay: + - 460.0 us + pressure: + - 16.05 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1121.0 K + ignition-delay: + - 398.0 us + pressure: + - 15.14 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 958.0 K + ignition-delay: + - 4290.0 us + pressure: + - 3.93 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 972.0 K + ignition-delay: + - 3410.0 us + pressure: + - 3.95 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 992.0 K + ignition-delay: + - 2060.0 us + pressure: + - 4.04 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 998.0 K + ignition-delay: + - 1320.0 us + pressure: + - 4.0 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 999.0 K + ignition-delay: + - 1530.0 us + pressure: + - 4.07 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1010.0 K + ignition-delay: + - 779.0 us + pressure: + - 4.09 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1021.0 K + ignition-delay: + - 539.0 us + pressure: + - 4.04 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1035.0 K + ignition-delay: + - 373.0 us + pressure: + - 3.78 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 923.0 K + ignition-delay: + - 3810.0 us + pressure: + - 1.03 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 927.0 K + ignition-delay: + - 3150.0 us + pressure: + - 1.1 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 934.0 K + ignition-delay: + - 3440.0 us + pressure: + - 1.08 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 937.0 K + ignition-delay: + - 2830.0 us + pressure: + - 1.02 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 939.0 K + ignition-delay: + - 2260.0 us + pressure: + - 1.04 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 941.0 K + ignition-delay: + - 2080.0 us + pressure: + - 1.1 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 957.0 K + ignition-delay: + - 1680.0 us + pressure: + - 1.03 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 982.0 K + ignition-delay: + - 1190.0 us + pressure: + - 1.02 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 995.0 K + ignition-delay: + - 1030.0 us + pressure: + - 1.02 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1027.0 K + ignition-delay: + - 764.0 us + pressure: + - 1.04 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + diff --git a/Hydrogen/Herzler_2009_ST_mix1_phi_1.yaml b/Hydrogen/Herzler_2009_ST_mix1_phi_1.yaml new file mode 100644 index 0000000..2174799 --- /dev/null +++ b/Hydrogen/Herzler_2009_ST_mix1_phi_1.yaml @@ -0,0 +1,374 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.proci.2008.07.034 + authors: + - name: J. Herzler + - name: C. Naumann + journal: Proceedings of the Combustion Institute + year: 2009 + volume: 32 + pages: 213-220 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Institut fur Verbennungstechnik, Deutsches Zentrum fur luft-und Raumfahrt, Pfaffenwaldring 38-40, D-70569 Stuttdart, Germany + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.058683 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.029470 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.911847 + ignition-type: &ign + target: OH* + type: d/dt max +datapoints: + - temperature: + - 1015.0 K + ignition-delay: + - 3680.0 us + pressure: + - 15.1 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1036.0 K + ignition-delay: + - 2860.0 us + pressure: + - 14.64 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1060.0 K + ignition-delay: + - 1610.0 us + pressure: + - 15.89 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1094.0 K + ignition-delay: + - 617.0 us + pressure: + - 14.94 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1098.0 K + ignition-delay: + - 654.0 us + pressure: + - 15.08 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1160.0 K + ignition-delay: + - 93.0 us + pressure: + - 16.44 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1194.0 K + ignition-delay: + - 31.0 us + pressure: + - 18.82 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1207.0 K + ignition-delay: + - 12.0 us + pressure: + - 17.36 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1238.0 K + ignition-delay: + - 10.0 us + pressure: + - 19.27 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 962.0 K + ignition-delay: + - 3660.0 us + pressure: + - 3.89 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 964.0 K + ignition-delay: + - 4290.0 us + pressure: + - 4.07 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 972.0 K + ignition-delay: + - 3380.0 us + pressure: + - 3.82 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 995.0 K + ignition-delay: + - 1910.0 us + pressure: + - 3.91 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1002.0 K + ignition-delay: + - 1640.0 us + pressure: + - 3.95 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1014.0 K + ignition-delay: + - 762.0 us + pressure: + - 3.92 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1017.0 K + ignition-delay: + - 714.0 us + pressure: + - 3.93 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1021.0 K + ignition-delay: + - 596.0 us + pressure: + - 3.95 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1047.0 K + ignition-delay: + - 300.0 us + pressure: + - 3.99 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1051.0 K + ignition-delay: + - 255.0 us + pressure: + - 3.97 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1065.0 K + ignition-delay: + - 189.0 us + pressure: + - 3.94 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1116.0 K + ignition-delay: + - 122.0 us + pressure: + - 4.04 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1160.0 K + ignition-delay: + - 82.0 us + pressure: + - 4.12 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 918.0 K + ignition-delay: + - 3620.0 us + pressure: + - 1.02 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 937.0 K + ignition-delay: + - 2500.0 us + pressure: + - 1.02 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 956.0 K + ignition-delay: + - 1390.0 us + pressure: + - 0.94 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 961.0 K + ignition-delay: + - 1480.0 us + pressure: + - 1.0 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1014.0 K + ignition-delay: + - 775.0 us + pressure: + - 1.03 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1061.0 K + ignition-delay: + - 545.0 us + pressure: + - 1.01 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1119.0 K + ignition-delay: + - 367.0 us + pressure: + - 0.98 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1153.0 K + ignition-delay: + - 316.0 us + pressure: + - 0.98 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1192.0 K + ignition-delay: + - 252.0 us + pressure: + - 1.05 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1256.0 K + ignition-delay: + - 192.0 us + pressure: + - 0.99 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1382.0 K + ignition-delay: + - 114.0 us + pressure: + - 0.99 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1437.0 K + ignition-delay: + - 105.0 us + pressure: + - 0.96 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1456.0 K + ignition-delay: + - 109.0 us + pressure: + - 0.87 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1709.0 K + ignition-delay: + - 53.0 us + pressure: + - 1.12 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1718.0 K + ignition-delay: + - 48.0 us + pressure: + - 1.13 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + diff --git a/Hydrogen/Hu_Pan_2016_phi_0.5.yaml b/Hydrogen/Hu_Pan_2016_phi_0.5.yaml new file mode 100644 index 0000000..cfbce07 --- /dev/null +++ b/Hydrogen/Hu_Pan_2016_phi_0.5.yaml @@ -0,0 +1,504 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2016.05.118 + authors: + - name: Erijiang Hu + - name: Lun Pan + - name: Zhenhua Gao + - name: Xin Lu + - name: Xin Meng + - name: Zuohua Huang + journal: International Journal of Hydrogen Energy + year: 2016 + volume: 41 + pages: 13261-13280 + detail: Data optained from correspondance with author +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: State Key Laboratory of Multiphase Floes in Power Engineering, Xi'an Jiaotong University + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.03472 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.03472 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.93056 + pressure-rise: &pres-rise + - 0.04 1/ms + ignition-type: &ign + target: OH* + type: d/dt max extrapolated +datapoints: + - temperature: + - 1313.4 K + ignition-delay: + - 90.3 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 1.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1212.9 K + ignition-delay: + - 171.0 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 1.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1199.9 K + ignition-delay: + - 184.0 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 1.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1174.4 K + ignition-delay: + - 250.0 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 1.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1103.1 K + ignition-delay: + - 383.7 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 1.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1072.1 K + ignition-delay: + - 417.8 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 1.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 988.1 K + ignition-delay: + - 743.5 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 1.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 937.2 K + ignition-delay: + - 1290.7 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 1.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 911.5 K + ignition-delay: + - 2004.2 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 1.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1251.9 K + ignition-delay: + - 45.1 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 4.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1167.7 K + ignition-delay: + - 69.1 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 4.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1153.0 K + ignition-delay: + - 85.6 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 4.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1069.7 K + ignition-delay: + - 192.5 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 4.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1038.9 K + ignition-delay: + - 316.2 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 4.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 997.6 K + ignition-delay: + - 607.2 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 4.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 989.9 K + ignition-delay: + - 1008.1 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 4.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 974.6 K + ignition-delay: + - 1851.5 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 4.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1212.6 K + ignition-delay: + - 26.2 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 10.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1166.2 K + ignition-delay: + - 44.4 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 10.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1121.0 K + ignition-delay: + - 93.452 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 10.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1094.1 K + ignition-delay: + - 187.0 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 10.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1088.6 K + ignition-delay: + - 407.66 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 10.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1074.2 K + ignition-delay: + - 749.89 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 10.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1071.9 K + ignition-delay: + - 769.18 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 10.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1057.9 K + ignition-delay: + - 1311.1 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 10.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1048.4 K + ignition-delay: + - 1733.7 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 10.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1029.4 K + ignition-delay: + - 2537.5 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 10.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1030.1 K + ignition-delay: + - 3530.2 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 10.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1160.0 K + ignition-delay: + - 60.7 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 16.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1154.7 K + ignition-delay: + - 83.2 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 16.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1142.9 K + ignition-delay: + - 135.1 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 16.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1147.4 K + ignition-delay: + - 182.3 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 16.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1138.3 K + ignition-delay: + - 270.8 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 16.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1123.1 K + ignition-delay: + - 437.4 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 16.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1101.4 K + ignition-delay: + - 714.6 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 16.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1082.3 K + ignition-delay: + - 1142.0 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 16.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1058.2 K + ignition-delay: + - 1655.6 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 16.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1039.7 K + ignition-delay: + - 2326.0 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 16.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + diff --git a/Hydrogen/Hu_Pan_2016_phi_1.yaml b/Hydrogen/Hu_Pan_2016_phi_1.yaml new file mode 100644 index 0000000..b242abb --- /dev/null +++ b/Hydrogen/Hu_Pan_2016_phi_1.yaml @@ -0,0 +1,516 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2016.05.118 + authors: + - name: Erijiang Hu + - name: Lun Pan + - name: Zhenhua Gao + - name: Xin Lu + - name: Xin Meng + - name: Zuohua Huang + journal: International Journal of Hydrogen Energy + year: 2016 + volume: 41 + pages: 13261-13280 + detail: Data optained from correspondance with author +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: State Key Laboratory of Multiphase Floes in Power Engineering, Xi'an Jiaotong University + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.05917 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.02959 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.91124 + pressure-rise: &pres-rise + - 0.04 1/ms + ignition-type: &ign + target: OH* + type: d/dt max extrapolated +datapoints: + - temperature: + - 1465.0 K + ignition-delay: + - 63.0 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 1.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1346.0 K + ignition-delay: + - 93.0 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 1.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1263.0 K + ignition-delay: + - 125.0 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 1.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1182.0 K + ignition-delay: + - 176.0 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 1.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1113.0 K + ignition-delay: + - 269.0 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 1.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1039.0 K + ignition-delay: + - 428.0 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 1.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 981.0 K + ignition-delay: + - 755.0 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 1.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 941.0 K + ignition-delay: + - 1272.0 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 1.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 905.0 K + ignition-delay: + - 2361.0 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 1.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1266.1 K + ignition-delay: + - 54.6 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 4.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1194.0 K + ignition-delay: + - 75.6 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 4.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1127.3 K + ignition-delay: + - 107.7 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 4.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1068.6 K + ignition-delay: + - 168.2 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 4.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1022.0 K + ignition-delay: + - 345.6 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 4.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1011.7 K + ignition-delay: + - 496.0 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 4.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 985.0 K + ignition-delay: + - 1141.1 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 4.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 972.1 K + ignition-delay: + - 2215.1 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 4.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1181.1 K + ignition-delay: + - 31.5 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 10.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1150.3 K + ignition-delay: + - 46.8 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 10.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1131.3 K + ignition-delay: + - 79.1 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 10.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1131.3 K + ignition-delay: + - 93.8 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 10.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1115.0 K + ignition-delay: + - 157.2 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 10.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1107.1 K + ignition-delay: + - 187.8 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 10.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1099.2 K + ignition-delay: + - 317.4 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 10.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1082.8 K + ignition-delay: + - 422.9 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 10.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1059.7 K + ignition-delay: + - 797.3 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 10.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1035.8 K + ignition-delay: + - 1399.3 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 10.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1028.0 K + ignition-delay: + - 2025.6 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 10.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1244.7 K + ignition-delay: + - 14.9 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 16.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1249.2 K + ignition-delay: + - 15.8 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 16.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1230.4 K + ignition-delay: + - 22.2 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 16.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1177.7 K + ignition-delay: + - 42.2 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 16.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1150.1 K + ignition-delay: + - 114.1 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 16.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1137.1 K + ignition-delay: + - 263.2 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 16.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1117.2 K + ignition-delay: + - 433.4 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 16.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1077.1 K + ignition-delay: + - 992.1 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 16.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1082.4 K + ignition-delay: + - 1241.3 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 16.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1038.9 K + ignition-delay: + - 1575.5 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 16.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1028.6 K + ignition-delay: + - 1756.7 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 16.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + diff --git a/Hydrogen/Hu_Pan_2016_phi_2.yaml b/Hydrogen/Hu_Pan_2016_phi_2.yaml new file mode 100644 index 0000000..58af203 --- /dev/null +++ b/Hydrogen/Hu_Pan_2016_phi_2.yaml @@ -0,0 +1,444 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2016.05.118 + authors: + - name: Erijiang Hu + - name: Lun Pan + - name: Zhenhua Gao + - name: Xin Lu + - name: Xin Meng + - name: Zuohua Huang + journal: International Journal of Hydrogen Energy + year: 2016 + volume: 41 + pages: 13261-13280 + detail: Data optained from correspondance with author +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: State Key Laboratory of Multiphase Floes in Power Engineering, Xi'an Jiaotong University + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.09132 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.02283 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.88585 + pressure-rise: &pres-rise + - 0.04 1/ms + ignition-type: &ign + target: OH* + type: d/dt max extrapolated +datapoints: + - temperature: + - 1431.0 K + ignition-delay: + - 71.0 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 1.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1298.0 K + ignition-delay: + - 130.0 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 1.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1242.0 K + ignition-delay: + - 154.0 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 1.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1174.0 K + ignition-delay: + - 196.0 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 1.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1100.0 K + ignition-delay: + - 404.0 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 1.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1035.0 K + ignition-delay: + - 500.0 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 1.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 968.0 K + ignition-delay: + - 975.0 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 1.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 918.0 K + ignition-delay: + - 3187.0 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 1.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 921.3 K + ignition-delay: + - 1749.5 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 1.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1253.9 K + ignition-delay: + - 48.2 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 4.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1180.4 K + ignition-delay: + - 75.6 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 4.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1134.4 K + ignition-delay: + - 110.9 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 4.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1081.3 K + ignition-delay: + - 157.3 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 4.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1041.4 K + ignition-delay: + - 302.0 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 4.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1001.2 K + ignition-delay: + - 694.8 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 4.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 984.3 K + ignition-delay: + - 1460.4 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 4.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 976.5 K + ignition-delay: + - 1891.9 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 4.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1154.7 K + ignition-delay: + - 51.7 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 10.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1151.5 K + ignition-delay: + - 57.6 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 10.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1119.2 K + ignition-delay: + - 114.6 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 10.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1104.1 K + ignition-delay: + - 185.1 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 10.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1072.5 K + ignition-delay: + - 389.2 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 10.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1068.0 K + ignition-delay: + - 621.5 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 10.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1040.8 K + ignition-delay: + - 1307.4 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 10.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1019.4 K + ignition-delay: + - 2259.9 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 10.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1172.2 K + ignition-delay: + - 71.9 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 16.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1155.7 K + ignition-delay: + - 107.0 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 16.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1132.8 K + ignition-delay: + - 182.3 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 16.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1114.7 K + ignition-delay: + - 293.6 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 16.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1096.4 K + ignition-delay: + - 491.6 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 16.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1066.8 K + ignition-delay: + - 932.9 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 16.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1040.5 K + ignition-delay: + - 1541.0 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 16.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1014.6 K + ignition-delay: + - 2233.8 us + - uncertainty-type: relative + uncertainty: 0.15 + pressure: + - 16.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + diff --git a/Hydrogen/Keromnes_2013_DLR_ST_mix1_phi_0.1.yaml b/Hydrogen/Keromnes_2013_DLR_ST_mix1_phi_0.1.yaml new file mode 100644 index 0000000..498f46b --- /dev/null +++ b/Hydrogen/Keromnes_2013_DLR_ST_mix1_phi_0.1.yaml @@ -0,0 +1,614 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: J. Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: German Aerospace Center (DLR), Institute of Combustion Technology, Stuttgart, Germany + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.0081 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0403 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.9516 + ignition-type: &ign + target: OH* + type: max +datapoints: + - temperature: + - 939.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 5051.0 us + pressure: + - 1.01 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 967.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 2547.0 us + pressure: + - 0.99 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1022.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1193.0 us + pressure: + - 0.94 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1026.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1202.0 us + pressure: + - 1.01 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1088.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 637.0 us + pressure: + - 0.94 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1128.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 553.0 us + pressure: + - 0.91 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1163.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 469.0 us + pressure: + - 0.86 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1267.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 279.0 us + pressure: + - 0.82 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1371.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 157.0 us + pressure: + - 0.93 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1445.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 125.0 us + pressure: + - 0.92 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1498.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 105.0 us + pressure: + - 0.86 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1566.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 113.0 us + pressure: + - 0.74 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1670.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 65.0 us + pressure: + - 0.91 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1688.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 80.0 us + pressure: + - 0.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1747.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 66.0 us + pressure: + - 0.85 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1804.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 52.0 us + pressure: + - 0.96 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1998.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 28.0 us + pressure: + - 1.34 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 2087.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 29.0 us + pressure: + - 1.11 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 2109.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 24.0 us + pressure: + - 1.14 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 935.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 5945.0 us + pressure: + - 3.9 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 958.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 4575.0 us + pressure: + - 3.96 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 963.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 4119.0 us + pressure: + - 3.9 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 974.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 3814.0 us + pressure: + - 3.9 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 986.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 2751.0 us + pressure: + - 3.9 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1005.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1914.0 us + pressure: + - 3.87 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1012.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1312.0 us + pressure: + - 3.6 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1026.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 784.0 us + pressure: + - 3.6 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1044.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 567.0 us + pressure: + - 3.7 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1069.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 368.0 us + pressure: + - 3.7 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1075.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 225.0 us + pressure: + - 3.5 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1080.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 292.0 us + pressure: + - 3.7 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1125.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 163.0 us + pressure: + - 3.7 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1143.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 146.0 us + pressure: + - 3.6 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1173.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 119.0 us + pressure: + - 3.6 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1183.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 112.0 us + pressure: + - 3.4 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1225.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 82.0 us + pressure: + - 3.5 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1276.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 57.0 us + pressure: + - 3.74 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1360.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 35.0 us + pressure: + - 4.2 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1037.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 5471.0 us + pressure: + - 16.1 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1041.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 5361.0 us + pressure: + - 16.2 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1077.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 3079.0 us + pressure: + - 16.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1087.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 2435.0 us + pressure: + - 16.1 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1109.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1561.0 us + pressure: + - 17.1 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1111.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1363.0 us + pressure: + - 16.35 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1136.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 581.0 us + pressure: + - 16.1 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1141.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 967.0 us + pressure: + - 16.3 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1142.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 427.0 us + pressure: + - 15.98 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1170.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 156.0 us + pressure: + - 16.3 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1180.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 95.0 us + pressure: + - 17.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1183.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 107.0 us + pressure: + - 17.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1255.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 31.0 us + pressure: + - 16.7 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + \ No newline at end of file diff --git a/Hydrogen/Keromnes_2013_DLR_ST_mix1_phi_0.5.yaml b/Hydrogen/Keromnes_2013_DLR_ST_mix1_phi_0.5.yaml new file mode 100644 index 0000000..1fe743d --- /dev/null +++ b/Hydrogen/Keromnes_2013_DLR_ST_mix1_phi_0.5.yaml @@ -0,0 +1,427 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: J. Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: German Aerospace Center (DLR), Institute of Combustion Technology, Stuttgart, Germany + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.0347 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0347 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.9306 + ignition-type: &ign + target: OH* + type: max +datapoints: + - temperature: + - 932.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 5933.0 us + pressure: + - 0.94 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 958.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 4188.0 us + pressure: + - 0.99 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 968.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 2987.0 us + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 974.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1657.0 us + pressure: + - 1.01 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 992.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1120.0 us + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1022.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 824.0 us + pressure: + - 1.05 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1047.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 655.0 us + pressure: + - 1.01 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1170.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 286.0 us + pressure: + - 0.99 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1353.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 127.0 us + pressure: + - 0.99 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1635.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 59.0 us + pressure: + - 0.97 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1954.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 41.0 us + pressure: + - 1.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1006.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 4713.0 us + pressure: + - 3.93 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1019.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 3078.0 us + pressure: + - 4.18 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1025.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 2537.0 us + pressure: + - 4.11 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1029.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 2360.0 us + pressure: + - 4.12 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1037.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 2347.0 us + pressure: + - 4.14 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1051.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1607.0 us + pressure: + - 4.19 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1060.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1166.0 us + pressure: + - 4.15 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1069.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 555.0 us + pressure: + - 4.14 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1081.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 329.0 us + pressure: + - 3.91 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1116.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 189.0 us + pressure: + - 4.54 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1173.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 85.0 us + pressure: + - 4.35 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1216.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 62.0 us + pressure: + - 4.09 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1257.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 49.0 us + pressure: + - 3.94 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1060.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 3342.0 us + pressure: + - 15.68 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1086.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 2312.0 us + pressure: + - 15.64 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1120.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1349.0 us + pressure: + - 15.1 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1140.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 960.0 us + pressure: + - 15.77 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1165.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 484.0 us + pressure: + - 15.94 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1199.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 234.0 us + pressure: + - 16.26 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1212.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 135.0 us + pressure: + - 15.27 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1223.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 89.0 us + pressure: + - 16.18 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1242.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 33.0 us + pressure: + - 15.72 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1243.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 46.0 us + pressure: + - 16.18 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + diff --git a/Hydrogen/Keromnes_2013_DLR_ST_mix1_phi_4.yaml b/Hydrogen/Keromnes_2013_DLR_ST_mix1_phi_4.yaml new file mode 100644 index 0000000..20b4a3a --- /dev/null +++ b/Hydrogen/Keromnes_2013_DLR_ST_mix1_phi_4.yaml @@ -0,0 +1,735 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: J. Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: German Aerospace Center (DLR), Institute of Combustion Technology, Stuttgart, Germany + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1254 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0157 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.8589 + ignition-type: &ign + target: OH* + type: max +datapoints: + - temperature: + - 943.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 3093.0 us + pressure: + - 1.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 944.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 2975.0 us + pressure: + - 1.11 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 953.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1689.0 us + pressure: + - 0.93 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 956.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 2106.0 us + pressure: + - 1.06 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 972.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1744.0 us + pressure: + - 0.92 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 975.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1725.0 us + pressure: + - 1.11 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 976.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 2077.0 us + pressure: + - 1.12 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 983.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1570.0 us + pressure: + - 1.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1008.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1257.0 us + pressure: + - 1.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1043.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 983.0 us + pressure: + - 1.06 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1056.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 801.0 us + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1068.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 765.0 us + pressure: + - 1.06 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1074.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1039.0 us + pressure: + - 1.06 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1091.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 745.0 us + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1118.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 527.0 us + pressure: + - 1.01 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1131.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 630.0 us + pressure: + - 0.97 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1191.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 429.0 us + pressure: + - 0.99 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1199.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 414.0 us + pressure: + - 0.94 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1288.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 293.0 us + pressure: + - 0.92 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1308.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 190.0 us + pressure: + - 1.19 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1324.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 192.0 us + pressure: + - 1.2 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1387.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 168.0 us + pressure: + - 1.19 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1588.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 108.0 us + pressure: + - 0.99 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1611.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 82.0 us + pressure: + - 1.3 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1698.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 79.0 us + pressure: + - 1.2 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 2136.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 36.0 us + pressure: + - 1.37 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 967.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 4554.0 us + pressure: + - 4.01 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 977.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 3451.0 us + pressure: + - 3.97 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 990.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 2309.0 us + pressure: + - 3.94 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 993.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 2295.0 us + pressure: + - 3.99 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 997.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 2141.0 us + pressure: + - 4.05 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1002.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 246.0 us + pressure: + - 3.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1012.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1066.0 us + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1015.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1047.0 us + pressure: + - 4.14 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1017.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 928.0 us + pressure: + - 4.19 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1039.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 524.0 us + pressure: + - 4.14 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1061.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 401.0 us + pressure: + - 4.06 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1074.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 346.0 us + pressure: + - 3.7 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1107.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 286.0 us + pressure: + - 3.9 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1123.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 200.0 us + pressure: + - 3.92 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1171.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 143.0 us + pressure: + - 4.11 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1178.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 134.0 us + pressure: + - 3.97 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1210.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 117.0 us + pressure: + - 3.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1260.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 79.0 us + pressure: + - 4.1 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1327.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 52.0 us + pressure: + - 4.5 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1463.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 34.0 us + pressure: + - 4.3 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 947.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 6680.0 us + pressure: + - 15.1 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 964.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 5490.0 us + pressure: + - 15.2 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 987.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 4770.0 us + pressure: + - 15.2 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1006.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 3000.0 us + pressure: + - 15.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1028.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 2300.0 us + pressure: + - 16.3 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1052.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1540.0 us + pressure: + - 15.6 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1064.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1170.0 us + pressure: + - 16.6 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1083.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 762.0 us + pressure: + - 14.2 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1094.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 695.0 us + pressure: + - 14.5 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1100.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 534.0 us + pressure: + - 15.5 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1149.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 200.0 us + pressure: + - 14.9 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1173.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 84.0 us + pressure: + - 14.3 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1177.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 80.0 us + pressure: + - 14.2 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1204.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 46.0 us + pressure: + - 14.7 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1208.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 38.0 us + pressure: + - 14.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1227.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 24.0 us + pressure: + - 14.9 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + diff --git a/Hydrogen/Keromnes_2013_DLR_ST_mix2_phi_0.5.yaml b/Hydrogen/Keromnes_2013_DLR_ST_mix2_phi_0.5.yaml new file mode 100644 index 0000000..518368f --- /dev/null +++ b/Hydrogen/Keromnes_2013_DLR_ST_mix2_phi_0.5.yaml @@ -0,0 +1,138 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: J. Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: German Aerospace Center (DLR), Institute of Combustion Technology, Stuttgart, Germany + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.0298 + - species-name: CO + InChI: 1S/CO/c1-2 + amount: + - 0.0052 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0351 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.4642 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.4657 + ignition-type: &ign + target: OH* + type: max +datapoints: + - temperature: + - 1002.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 5421.0 us + pressure: + - 15.15 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1038.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 3428.0 us + pressure: + - 15.61 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1087.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1951.0 us + pressure: + - 16.32 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1139.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 677.0 us + pressure: + - 16.37 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1182.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 199.0 us + pressure: + - 16.64 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1200.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 92.0 us + pressure: + - 16.25 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1222.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 27.0 us + pressure: + - 15.03 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + diff --git a/Hydrogen/Keromnes_2013_DLR_ST_mix3_phi_0.5.yaml b/Hydrogen/Keromnes_2013_DLR_ST_mix3_phi_0.5.yaml new file mode 100644 index 0000000..9a48eea --- /dev/null +++ b/Hydrogen/Keromnes_2013_DLR_ST_mix3_phi_0.5.yaml @@ -0,0 +1,915 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: J. Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: German Aerospace Center (DLR), Institute of Combustion Technology, Stuttgart, Germany + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.0174 + - species-name: CO + InChI: 1S/CO/c1-2 + amount: + - 0.0174 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0347 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.9306 + ignition-type: &ign + target: OH* + type: max +datapoints: + - temperature: + - 1007.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 6076.0 us + pressure: + - 15.06 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1029.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 4892.0 us + pressure: + - 15.5 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1045.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 4045.0 us + pressure: + - 15.22 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1073.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1944.0 us + pressure: + - 15.63 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1120.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 684.0 us + pressure: + - 15.43 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1122.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 774.0 us + pressure: + - 15.73 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1124.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 688.0 us + pressure: + - 16.42 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1147.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 357.0 us + pressure: + - 16.5 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1148.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 369.0 us + pressure: + - 17.16 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1161.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 180.0 us + pressure: + - 15.93 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1164.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 232.0 us + pressure: + - 16.47 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1202.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 51.0 us + pressure: + - 16.55 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1211.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 40.0 us + pressure: + - 16.36 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1212.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 43.0 us + pressure: + - 17.1 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1249.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 19.0 us + pressure: + - 16.51 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 970.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 4531.0 us + pressure: + - 3.6 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 985.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 3448.0 us + pressure: + - 4.09 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 993.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 2861.0 us + pressure: + - 4.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1002.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 2702.0 us + pressure: + - 4.17 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1007.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1456.0 us + pressure: + - 3.83 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1021.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1068.0 us + pressure: + - 3.96 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1024.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 805.0 us + pressure: + - 3.83 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1027.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 826.0 us + pressure: + - 4.11 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1029.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 684.0 us + pressure: + - 4.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1031.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 631.0 us + pressure: + - 3.77 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1050.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 333.0 us + pressure: + - 4.1 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1058.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 318.0 us + pressure: + - 4.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1060.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 311.0 us + pressure: + - 4.07 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1084.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 227.0 us + pressure: + - 4.05 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1093.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 192.0 us + pressure: + - 4.22 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1103.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 170.0 us + pressure: + - 4.33 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1148.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 109.0 us + pressure: + - 4.17 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1167.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 103.0 us + pressure: + - 3.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1186.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 79.0 us + pressure: + - 4.09 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1192.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 74.0 us + pressure: + - 3.84 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1192.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 89.0 us + pressure: + - 3.62 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1201.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 81.0 us + pressure: + - 3.79 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1206.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 78.0 us + pressure: + - 3.67 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1281.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 45.0 us + pressure: + - 4.37 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1336.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 31.0 us + pressure: + - 4.61 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1418.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 22.0 us + pressure: + - 4.83 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 882.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 10776.0 us + pressure: + - 0.86 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 895.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 9696.0 us + pressure: + - 0.87 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 900.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 3734.0 us + pressure: + - 0.88 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 902.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 8273.0 us + pressure: + - 0.96 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 906.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 6633.0 us + pressure: + - 0.9 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 912.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 5445.0 us + pressure: + - 0.9 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 926.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 3555.0 us + pressure: + - 1.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 947.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 2263.0 us + pressure: + - 1.05 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 978.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1279.0 us + pressure: + - 1.06 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 988.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1150.0 us + pressure: + - 0.92 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 990.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1170.0 us + pressure: + - 0.82 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1009.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 720.0 us + pressure: + - 0.85 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1009.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 844.0 us + pressure: + - 1.09 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1011.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 758.0 us + pressure: + - 0.93 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1016.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 763.0 us + pressure: + - 1.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1040.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 640.0 us + pressure: + - 1.1 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1065.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 432.0 us + pressure: + - 1.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1085.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 455.0 us + pressure: + - 1.1 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1099.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 394.0 us + pressure: + - 1.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1123.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 371.0 us + pressure: + - 1.1 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1148.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 364.0 us + pressure: + - 0.97 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1152.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 345.0 us + pressure: + - 1.05 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1170.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 294.0 us + pressure: + - 1.05 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1244.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 204.0 us + pressure: + - 1.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1272.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 199.0 us + pressure: + - 1.03 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1331.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 179.0 us + pressure: + - 1.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1337.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 174.0 us + pressure: + - 0.99 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1371.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 151.0 us + pressure: + - 0.97 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1389.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 155.0 us + pressure: + - 1.03 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1397.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 158.0 us + pressure: + - 0.97 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1663.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 102.0 us + pressure: + - 1.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1663.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 107.0 us + pressure: + - 0.97 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1686.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 79.0 us + pressure: + - 1.12 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1876.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 85.0 us + pressure: + - 1.05 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 2000.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 87.0 us + pressure: + - 1.11 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 2029.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 113.0 us + pressure: + - 1.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 2031.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 61.0 us + pressure: + - 1.07 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + diff --git a/Hydrogen/Keromnes_2013_DLR_ST_mix3_phi_0.5_N2.yaml b/Hydrogen/Keromnes_2013_DLR_ST_mix3_phi_0.5_N2.yaml new file mode 100644 index 0000000..56d4b35 --- /dev/null +++ b/Hydrogen/Keromnes_2013_DLR_ST_mix3_phi_0.5_N2.yaml @@ -0,0 +1,171 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: J. Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: German Aerospace Center (DLR), Institute of Combustion Technology, Stuttgart, Germany + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.0174 + - species-name: CO + InChI: 1S/CO/c1-2 + amount: + - 0.0174 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0352 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.4732 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.4568 + ignition-type: &ign + target: OH* + type: max +datapoints: + - temperature: + - 1020.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 5561.0 us + pressure: + - 15.69 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1047.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 3944.0 us + pressure: + - 16.16 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1070.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 3024.0 us + pressure: + - 16.13 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1077.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 2136.0 us + pressure: + - 15.63 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1081.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 2533.0 us + pressure: + - 16.1 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1119.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1159.0 us + pressure: + - 16.43 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1138.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 773.0 us + pressure: + - 16.46 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1161.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 463.0 us + pressure: + - 16.06 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1204.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 89.0 us + pressure: + - 16.24 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1217.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 63.0 us + pressure: + - 16.09 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + diff --git a/Hydrogen/Keromnes_2013_DLR_ST_mix3_phi_1.yaml b/Hydrogen/Keromnes_2013_DLR_ST_mix3_phi_1.yaml new file mode 100644 index 0000000..a568edd --- /dev/null +++ b/Hydrogen/Keromnes_2013_DLR_ST_mix3_phi_1.yaml @@ -0,0 +1,739 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: J. Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: German Aerospace Center (DLR), Institute of Combustion Technology, Stuttgart, Germany + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.0296 + - species-name: CO + InChI: 1S/CO/c1-2 + amount: + - 0.0296 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0296 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.9112 + ignition-type: &ign + target: OH* + type: max +datapoints: + - temperature: + - 997.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 5424.0 us + pressure: + - 16.24 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1000.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 5209.0 us + pressure: + - 15.86 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1007.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 4840.0 us + pressure: + - 15.69 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1015.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 4626.0 us + pressure: + - 16.84 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1034.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 3212.0 us + pressure: + - 15.69 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1068.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1861.0 us + pressure: + - 15.98 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1085.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1246.0 us + pressure: + - 14.7 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1106.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 849.0 us + pressure: + - 16.1 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1116.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 594.0 us + pressure: + - 15.98 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1143.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 299.0 us + pressure: + - 16.2 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1145.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 262.0 us + pressure: + - 15.62 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1146.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 268.0 us + pressure: + - 16.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1174.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 80.0 us + pressure: + - 16.31 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1179.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 68.0 us + pressure: + - 15.86 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1205.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 30.0 us + pressure: + - 16.1 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1215.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 31.0 us + pressure: + - 15.32 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 942.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 5731.0 us + pressure: + - 3.79 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 963.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 4933.0 us + pressure: + - 3.89 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 981.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 3412.0 us + pressure: + - 3.93 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 995.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 2438.0 us + pressure: + - 4.07 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1003.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1221.0 us + pressure: + - 3.71 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1005.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 2095.0 us + pressure: + - 4.03 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1009.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1068.0 us + pressure: + - 3.91 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1022.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 998.0 us + pressure: + - 3.98 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1044.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 366.0 us + pressure: + - 3.9 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1052.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 371.0 us + pressure: + - 3.84 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1068.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 285.0 us + pressure: + - 4.16 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1071.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 280.0 us + pressure: + - 3.96 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1080.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 246.0 us + pressure: + - 3.81 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1107.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 177.0 us + pressure: + - 3.88 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1109.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 166.0 us + pressure: + - 3.99 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1132.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 141.0 us + pressure: + - 3.9 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1142.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 108.0 us + pressure: + - 5.07 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1145.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 128.0 us + pressure: + - 3.86 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1210.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 82.0 us + pressure: + - 3.97 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1227.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 73.0 us + pressure: + - 3.93 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1282.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 55.0 us + pressure: + - 3.96 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1301.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 51.0 us + pressure: + - 4.03 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1364.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 38.0 us + pressure: + - 4.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 924.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 3188.0 us + pressure: + - 1.07 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 938.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 3689.0 us + pressure: + - 1.07 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 950.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1631.0 us + pressure: + - 1.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 982.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1179.0 us + pressure: + - 1.07 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 993.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1218.0 us + pressure: + - 0.99 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1080.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 586.0 us + pressure: + - 0.99 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1169.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 297.0 us + pressure: + - 1.09 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1200.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 349.0 us + pressure: + - 0.88 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1245.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 246.0 us + pressure: + - 1.05 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1336.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 196.0 us + pressure: + - 0.97 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1475.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 161.0 us + pressure: + - 0.84 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1479.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 128.0 us + pressure: + - 0.93 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1527.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 117.0 us + pressure: + - 0.91 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1734.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 91.0 us + pressure: + - 1.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1754.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 91.0 us + pressure: + - 1.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1829.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 93.0 us + pressure: + - 0.93 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1972.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 62.0 us + pressure: + - 1.15 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 2011.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 68.0 us + pressure: + - 1.1 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 2145.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 54.0 us + pressure: + - 1.13 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 2147.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 70.0 us + pressure: + - 0.97 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 2202.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 69.0 us + pressure: + - 0.92 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 2214.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 65.0 us + pressure: + - 0.76 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 2220.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 46.0 us + pressure: + - 1.18 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + diff --git a/Hydrogen/Keromnes_2013_DLR_ST_mix4_phi_0.5.yaml b/Hydrogen/Keromnes_2013_DLR_ST_mix4_phi_0.5.yaml new file mode 100644 index 0000000..a413911 --- /dev/null +++ b/Hydrogen/Keromnes_2013_DLR_ST_mix4_phi_0.5.yaml @@ -0,0 +1,486 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: J. Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: German Aerospace Center (DLR), Institute of Combustion Technology, Stuttgart, Germany + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.0017 + - species-name: CO + InChI: 1S/CO2/c2-1-3 + amount: + - 0.0330 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0347 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.9306 + ignition-type: &ign + target: OH* + type: max +datapoints: + - temperature: + - 1156.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 2251.0 us + pressure: + - 16.95 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1174.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1488.0 us + pressure: + - 17.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1179.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1320.0 us + pressure: + - 16.54 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1194.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 929.0 us + pressure: + - 16.35 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1232.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 451.0 us + pressure: + - 16.31 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1247.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 312.0 us + pressure: + - 15.67 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1288.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 203.0 us + pressure: + - 16.3 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1359.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 87.0 us + pressure: + - 16.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1385.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 77.0 us + pressure: + - 16.28 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1470.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 34.0 us + pressure: + - 15.67 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1042.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 3231.0 us + pressure: + - 4.55 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1042.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 2833.0 us + pressure: + - 4.01 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1049.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 4621.0 us + pressure: + - 4.56 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1089.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1573.0 us + pressure: + - 4.21 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1119.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1085.0 us + pressure: + - 4.15 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1146.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1224.0 us + pressure: + - 4.15 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1159.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 694.0 us + pressure: + - 3.93 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1215.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 402.0 us + pressure: + - 3.93 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1260.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 213.0 us + pressure: + - 3.81 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1345.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 191.0 us + pressure: + - 3.88 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1463.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 115.0 us + pressure: + - 3.96 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1478.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 140.0 us + pressure: + - 3.68 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1497.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 115.0 us + pressure: + - 3.76 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1516.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 105.0 us + pressure: + - 3.77 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1614.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 84.0 us + pressure: + - 3.84 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1824.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 55.0 us + pressure: + - 4.3 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 943.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 9539.0 us + pressure: + - 1.09 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 945.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 10062.0 us + pressure: + - 1.01 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1022.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 5703.0 us + pressure: + - 1.15 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1081.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 3484.0 us + pressure: + - 1.17 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1108.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 3144.0 us + pressure: + - 1.06 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1222.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1593.0 us + pressure: + - 1.07 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1316.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1209.0 us + pressure: + - 1.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1373.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1064.0 us + pressure: + - 0.89 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1534.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 753.0 us + pressure: + - 0.95 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1582.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 842.0 us + pressure: + - 0.93 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1944.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 332.0 us + pressure: + - 1.12 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1990.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 381.0 us + pressure: + - 1.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 2246.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 326.0 us + pressure: + - 1.01 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + diff --git a/Hydrogen/Keromnes_2013_DLR_ST_mix4_phi_1.yaml b/Hydrogen/Keromnes_2013_DLR_ST_mix4_phi_1.yaml new file mode 100644 index 0000000..d7b3f96 --- /dev/null +++ b/Hydrogen/Keromnes_2013_DLR_ST_mix4_phi_1.yaml @@ -0,0 +1,629 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: J. Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: German Aerospace Center (DLR), Institute of Combustion Technology, Stuttgart, Germany + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.0030 + - species-name: CO + InChI: 1S/CO/c1-2 + amount: + - 0.0562 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0296 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.9112 + ignition-type: &ign + target: OH* + type: max +datapoints: + - temperature: + - 1040.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 5027.0 us + pressure: + - 13.4 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1043.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 5783.0 us + pressure: + - 14.97 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1044.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 5250.0 us + pressure: + - 14.25 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1056.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 4618.0 us + pressure: + - 14.7 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1092.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 3129.0 us + pressure: + - 14.61 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1117.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1923.0 us + pressure: + - 14.21 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1148.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 786.0 us + pressure: + - 14.16 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1195.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 318.0 us + pressure: + - 14.61 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1202.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 237.0 us + pressure: + - 14.03 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1212.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 229.0 us + pressure: + - 14.44 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1250.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 146.0 us + pressure: + - 14.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1324.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 78.0 us + pressure: + - 15.29 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1354.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 64.0 us + pressure: + - 16.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1359.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 58.0 us + pressure: + - 15.85 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1438.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 36.0 us + pressure: + - 14.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 991.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 4367.0 us + pressure: + - 3.51 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1018.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 2865.0 us + pressure: + - 3.63 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1031.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 2143.0 us + pressure: + - 3.56 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1057.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1582.0 us + pressure: + - 3.64 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1079.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1051.0 us + pressure: + - 3.63 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1144.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 559.0 us + pressure: + - 3.71 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1147.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 590.0 us + pressure: + - 3.75 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1240.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 329.0 us + pressure: + - 3.79 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1254.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 314.0 us + pressure: + - 3.46 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1371.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 197.0 us + pressure: + - 3.6 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1456.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 167.0 us + pressure: + - 3.44 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1471.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 150.0 us + pressure: + - 3.67 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1649.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 89.0 us + pressure: + - 4.13 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1763.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 75.0 us + pressure: + - 4.25 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1934.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 56.0 us + pressure: + - 4.18 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 957.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 6497.0 us + pressure: + - 0.92 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 975.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 5699.0 us + pressure: + - 0.9 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 993.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 5478.0 us + pressure: + - 0.92 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 994.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 4495.0 us + pressure: + - 0.87 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 996.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 4473.0 us + pressure: + - 0.93 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1028.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 3950.0 us + pressure: + - 0.92 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1048.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 2913.0 us + pressure: + - 0.96 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1081.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 2349.0 us + pressure: + - 1.01 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1120.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1873.0 us + pressure: + - 1.07 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1214.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1349.0 us + pressure: + - 1.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1237.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1109.0 us + pressure: + - 1.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1268.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1085.0 us + pressure: + - 0.97 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1351.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 920.0 us + pressure: + - 0.88 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1405.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 802.0 us + pressure: + - 0.85 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1510.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 615.0 us + pressure: + - 0.96 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1564.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 619.0 us + pressure: + - 0.92 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1669.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 477.0 us + pressure: + - 0.88 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1986.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 302.0 us + pressure: + - 0.94 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 2147.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 254.0 us + pressure: + - 1.14 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 2158.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 257.0 us + pressure: + - 0.9 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 2161.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 230.0 us + pressure: + - 1.13 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 2374.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 398.0 us + pressure: + - 0.86 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-1.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-1.yaml new file mode 100644 index 0000000..34ba8a4 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-1.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 355 K + ignition-delay: + - 51.4 ms + pressure: + - 607 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-10.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-10.yaml new file mode 100644 index 0000000..3b2e405 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-10.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 365 K + ignition-delay: + - 13.5 ms + pressure: + - 605 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-11.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-11.yaml new file mode 100644 index 0000000..05d94ff --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-11.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 365 K + ignition-delay: + - 15.8 ms + pressure: + - 601 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-12.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-12.yaml new file mode 100644 index 0000000..891b733 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-12.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 365 K + ignition-delay: + - 15.2 ms + pressure: + - 606 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-13.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-13.yaml new file mode 100644 index 0000000..87d20f0 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-13.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 370 K + ignition-delay: + - 7.8 ms + pressure: + - 610 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-14.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-14.yaml new file mode 100644 index 0000000..f8d8740 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-14.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 370 K + ignition-delay: + - 9.4 ms + pressure: + - 612 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-15.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-15.yaml new file mode 100644 index 0000000..a897b03 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-15.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 370 K + ignition-delay: + - 9.5 ms + pressure: + - 611 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-16.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-16.yaml new file mode 100644 index 0000000..5806ec6 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-16.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 375 K + ignition-delay: + - 5.6 ms + pressure: + - 612 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-17.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-17.yaml new file mode 100644 index 0000000..a50af16 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-17.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 375 K + ignition-delay: + - 5.8 ms + pressure: + - 614 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-18.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-18.yaml new file mode 100644 index 0000000..8d4fbf2 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-18.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 350 K + ignition-delay: + - 75.2 ms + pressure: + - 606 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-19.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-19.yaml new file mode 100644 index 0000000..2d999e1 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-19.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 350 K + ignition-delay: + - 74.1 ms + pressure: + - 591 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-2.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-2.yaml new file mode 100644 index 0000000..6a7b658 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-2.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 355 K + ignition-delay: + - 57 ms + pressure: + - 602 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-20.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-20.yaml new file mode 100644 index 0000000..3e96cc6 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-20.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 350 K + ignition-delay: + - 76.8 ms + pressure: + - 589 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-21.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-21.yaml new file mode 100644 index 0000000..44b229e --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-21.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 355 K + ignition-delay: + - 39.8 ms + pressure: + - 591 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-22.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-22.yaml new file mode 100644 index 0000000..3a66510 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-22.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 355 K + ignition-delay: + - 48.8 ms + pressure: + - 592 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-23.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-23.yaml new file mode 100644 index 0000000..3ac765b --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-23.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 355 K + ignition-delay: + - 51.4 ms + pressure: + - 592 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-24.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-24.yaml new file mode 100644 index 0000000..7982e79 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-24.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 360 K + ignition-delay: + - 33 ms + pressure: + - 592 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-25.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-25.yaml new file mode 100644 index 0000000..a30b4cc --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-25.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 360 K + ignition-delay: + - 36.7 ms + pressure: + - 591 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-26.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-26.yaml new file mode 100644 index 0000000..06a8443 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-26.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 360 K + ignition-delay: + - 36.4 ms + pressure: + - 591 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-27.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-27.yaml new file mode 100644 index 0000000..48c2fa5 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-27.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 364 K + ignition-delay: + - 22.4 ms + pressure: + - 591 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-28.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-28.yaml new file mode 100644 index 0000000..9e4cd1f --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-28.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 364 K + ignition-delay: + - 19.9 ms + pressure: + - 605 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-29.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-29.yaml new file mode 100644 index 0000000..d5c902b --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-29.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 364 K + ignition-delay: + - 22.1 ms + pressure: + - 605 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-3.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-3.yaml new file mode 100644 index 0000000..7557dd3 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-3.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 355 K + ignition-delay: + - 58.9 ms + pressure: + - 604 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-30.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-30.yaml new file mode 100644 index 0000000..a2c11c2 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-30.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 368 K + ignition-delay: + - 10.6 ms + pressure: + - 605 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-31.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-31.yaml new file mode 100644 index 0000000..a772b64 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-31.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 368 K + ignition-delay: + - 10.8 ms + pressure: + - 604 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-32.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-32.yaml new file mode 100644 index 0000000..4c2ac73 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-32.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 368 K + ignition-delay: + - 10.1 ms + pressure: + - 605 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-33.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-33.yaml new file mode 100644 index 0000000..45785d8 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-33.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 373 K + ignition-delay: + - 5.2 ms + pressure: + - 606 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-34.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-34.yaml new file mode 100644 index 0000000..7868eb9 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-34.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 373 K + ignition-delay: + - 5.3 ms + pressure: + - 605 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-35.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-35.yaml new file mode 100644 index 0000000..451f6cd --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-35.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 373 K + ignition-delay: + - 5.1 ms + pressure: + - 607 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-4.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-4.yaml new file mode 100644 index 0000000..e7b21f6 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-4.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 360 K + ignition-delay: + - 32.1 ms + pressure: + - 603 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-5.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-5.yaml new file mode 100644 index 0000000..8ba0fef --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-5.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 360 K + ignition-delay: + - 29.9 ms + pressure: + - 603 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-6.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-6.yaml new file mode 100644 index 0000000..b2d1066 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-6.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 360 K + ignition-delay: + - 30.3 ms + pressure: + - 605 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-7.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-7.yaml new file mode 100644 index 0000000..403b490 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-7.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 350 K + ignition-delay: + - 86.6 ms + pressure: + - 605 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-8.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-8.yaml new file mode 100644 index 0000000..475adcb --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-8.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 350 K + ignition-delay: + - 105 ms + pressure: + - 603 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-9.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-9.yaml new file mode 100644 index 0000000..63f9b07 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_16-9.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 350 K + ignition-delay: + - 94 ms + pressure: + - 606 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.887e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.545e-01] + - [3.496e-03 , 9.108e-01] + - [3.759e-03 , 8.947e-01] + - [3.998e-03 , 8.856e-01] + - [4.259e-03 , 8.703e-01] + - [4.496e-03 , 8.608e-01] + - [5.746e-03 , 7.818e-01] + - [5.993e-03 , 7.660e-01] + - [6.249e-03 , 7.452e-01] + - [6.745e-03 , 7.101e-01] + - [6.995e-03 , 6.917e-01] + - [7.495e-03 , 6.516e-01] + - [7.745e-03 , 6.323e-01] + - [8.242e-03 , 5.929e-01] + - [8.497e-03 , 5.724e-01] + - [8.746e-03 , 5.533e-01] + - [9.246e-03 , 5.129e-01] + - [9.494e-03 , 4.945e-01] + - [9.746e-03 , 4.748e-01] + - [1.024e-02 , 4.364e-01] + - [1.050e-02 , 4.168e-01] + - [1.074e-02 , 3.977e-01] + - [1.100e-02 , 3.778e-01] + - [1.124e-02 , 3.589e-01] + - [1.149e-02 , 3.390e-01] + - [1.174e-02 , 3.188e-01] + - [1.199e-02 , 2.987e-01] + - [1.224e-02 , 2.790e-01] + - [1.249e-02 , 2.588e-01] + - [1.274e-02 , 2.388e-01] + - [1.299e-02 , 2.188e-01] + - [1.349e-02 , 1.856e-01] + - [1.374e-02 , 1.735e-01] + - [1.399e-02 , 1.624e-01] + - [1.424e-02 , 1.516e-01] + - [1.449e-02 , 1.403e-01] + - [1.474e-02 , 1.292e-01] + - [1.499e-02 , 1.191e-01] + - [1.525e-02 , 1.127e-01] + - [1.550e-02 , 1.096e-01] + - [1.576e-02 , 1.082e-01] + - [1.601e-02 , 1.075e-01] + - [1.701e-02 , 1.055e-01] + - [1.724e-02 , 1.053e-01] + - [1.803e-02 , 1.065e-01] + - [1.880e-02 , 1.075e-01] + - [2.005e-02 , 1.084e-01] + - [2.101e-02 , 1.088e-01] + - [2.127e-02 , 1.087e-01] + - [2.275e-02 , 1.094e-01] + - [2.555e-02 , 1.114e-01] + - [2.658e-02 , 1.118e-01] + - [2.801e-02 , 1.120e-01] + - [2.949e-02 , 1.125e-01] + - [3.129e-02 , 1.135e-01] + - [3.263e-02 , 1.141e-01] + - [3.598e-02 , 1.148e-01] + - [3.828e-02 , 1.159e-01] + - [3.931e-02 , 1.163e-01] + - [4.198e-02 , 1.168e-01] + - [4.301e-02 , 1.171e-01] + - [4.586e-02 , 1.182e-01] + - [4.852e-02 , 1.187e-01] + - [5.187e-02 , 1.198e-01] + - [5.506e-02 , 1.205e-01] + - [5.858e-02 , 1.215e-01] + - [6.152e-02 , 1.222e-01] + - [6.487e-02 , 1.231e-01] + - [6.803e-02 , 1.238e-01] + - [7.140e-02 , 1.247e-01] + - [7.554e-02 , 1.255e-01] + - [7.859e-02 , 1.263e-01] + - [8.956e-02 , 1.285e-01] + - [9.990e-02 , 1.305e-01] + - [1.111e-01 , 1.324e-01] + - [1.171e-01 , 1.333e-01] + - [1.312e-01 , 1.354e-01] + - [1.511e-01 , 1.380e-01] + - [1.717e-01 , 1.405e-01] + - [1.917e-01 , 1.427e-01] + - [2.126e-01 , 1.448e-01] + - [2.389e-01 , 1.473e-01] + - [2.497e-01 , 1.482e-01] + - [2.704e-01 , 1.501e-01] + - [3.135e-01 , 1.538e-01] + - [3.433e-01 , 1.565e-01] + - [3.773e-01 , 1.596e-01] + - [4.106e-01 , 1.625e-01] + - [4.282e-01 , 1.640e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-1.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-1.yaml new file mode 100644 index 0000000..67baaca --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-1.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 350 K + ignition-delay: + - 37.3 ms + pressure: + - 1157 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.726e-01] + - [1.463e-03 , 9.215e-01] + - [3.487e-03 , 8.350e-01] + - [3.744e-03 , 8.145e-01] + - [3.993e-03 , 7.935e-01] + - [4.492e-03 , 7.689e-01] + - [4.746e-03 , 7.550e-01] + - [5.484e-03 , 6.991e-01] + - [5.738e-03 , 6.846e-01] + - [6.237e-03 , 6.478e-01] + - [6.493e-03 , 6.249e-01] + - [6.742e-03 , 6.084e-01] + - [6.988e-03 , 5.905e-01] + - [7.241e-03 , 5.701e-01] + - [7.488e-03 , 5.527e-01] + - [7.741e-03 , 5.333e-01] + - [7.987e-03 , 5.168e-01] + - [8.240e-03 , 4.969e-01] + - [8.487e-03 , 4.814e-01] + - [8.738e-03 , 4.633e-01] + - [8.988e-03 , 4.450e-01] + - [9.238e-03 , 4.272e-01] + - [9.486e-03 , 4.102e-01] + - [9.738e-03 , 3.918e-01] + - [9.987e-03 , 3.742e-01] + - [1.024e-02 , 3.550e-01] + - [1.049e-02 , 3.365e-01] + - [1.074e-02 , 3.183e-01] + - [1.099e-02 , 3.017e-01] + - [1.124e-02 , 2.836e-01] + - [1.149e-02 , 2.653e-01] + - [1.174e-02 , 2.475e-01] + - [1.198e-02 , 2.296e-01] + - [1.223e-02 , 2.115e-01] + - [1.248e-02 , 1.935e-01] + - [1.274e-02 , 1.758e-01] + - [1.299e-02 , 1.608e-01] + - [1.324e-02 , 1.496e-01] + - [1.348e-02 , 1.398e-01] + - [1.374e-02 , 1.301e-01] + - [1.399e-02 , 1.215e-01] + - [1.424e-02 , 1.149e-01] + - [1.449e-02 , 1.115e-01] + - [1.475e-02 , 1.098e-01] + - [1.500e-02 , 1.086e-01] + - [1.552e-02 , 1.071e-01] + - [1.604e-02 , 1.062e-01] + - [1.652e-02 , 1.059e-01] + - [1.699e-02 , 1.060e-01] + - [1.750e-02 , 1.063e-01] + - [1.774e-02 , 1.067e-01] + - [1.827e-02 , 1.075e-01] + - [1.925e-02 , 1.085e-01] + - [2.097e-02 , 1.094e-01] + - [2.200e-02 , 1.102e-01] + - [2.223e-02 , 1.104e-01] + - [2.426e-02 , 1.127e-01] + - [2.530e-02 , 1.135e-01] + - [2.605e-02 , 1.138e-01] + - [2.847e-02 , 1.148e-01] + - [3.023e-02 , 1.162e-01] + - [3.146e-02 , 1.170e-01] + - [3.228e-02 , 1.173e-01] + - [3.443e-02 , 1.178e-01] + - [3.696e-02 , 1.192e-01] + - [3.859e-02 , 1.199e-01] + - [4.099e-02 , 1.204e-01] + - [4.125e-02 , 1.205e-01] + - [4.249e-02 , 1.209e-01] + - [4.275e-02 , 1.212e-01] + - [4.451e-02 , 1.220e-01] + - [4.475e-02 , 1.220e-01] + - [4.817e-02 , 1.228e-01] + - [5.024e-02 , 1.237e-01] + - [6.377e-02 , 1.275e-01] + - [8.027e-02 , 1.316e-01] + - [9.587e-02 , 1.349e-01] + - [1.108e-01 , 1.378e-01] + - [1.175e-01 , 1.389e-01] + - [1.223e-01 , 1.396e-01] + - [1.228e-01 , 1.397e-01] + - [1.391e-01 , 1.421e-01] + - [1.524e-01 , 1.437e-01] + - [1.591e-01 , 1.445e-01] + - [1.717e-01 , 1.458e-01] + - [1.977e-01 , 1.483e-01] + - [1.983e-01 , 1.486e-01] + - [1.990e-01 , 1.483e-01] + - [1.992e-01 , 1.484e-01] + - [2.119e-01 , 1.496e-01] + - [2.191e-01 , 1.503e-01] + - [2.525e-01 , 1.532e-01] + - [2.569e-01 , 1.537e-01] + - [2.753e-01 , 1.553e-01] + - [3.020e-01 , 1.576e-01] + - [3.508e-01 , 1.618e-01] + - [4.093e-01 , 1.671e-01] + - [4.247e-01 , 1.683e-01] + - [4.277e-01 , 1.686e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-10.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-10.yaml new file mode 100644 index 0000000..b8e6081 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-10.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 360 K + ignition-delay: + - 11.7 ms + pressure: + - 1153 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.726e-01] + - [1.463e-03 , 9.215e-01] + - [3.487e-03 , 8.350e-01] + - [3.744e-03 , 8.145e-01] + - [3.993e-03 , 7.935e-01] + - [4.492e-03 , 7.689e-01] + - [4.746e-03 , 7.550e-01] + - [5.484e-03 , 6.991e-01] + - [5.738e-03 , 6.846e-01] + - [6.237e-03 , 6.478e-01] + - [6.493e-03 , 6.249e-01] + - [6.742e-03 , 6.084e-01] + - [6.988e-03 , 5.905e-01] + - [7.241e-03 , 5.701e-01] + - [7.488e-03 , 5.527e-01] + - [7.741e-03 , 5.333e-01] + - [7.987e-03 , 5.168e-01] + - [8.240e-03 , 4.969e-01] + - [8.487e-03 , 4.814e-01] + - [8.738e-03 , 4.633e-01] + - [8.988e-03 , 4.450e-01] + - [9.238e-03 , 4.272e-01] + - [9.486e-03 , 4.102e-01] + - [9.738e-03 , 3.918e-01] + - [9.987e-03 , 3.742e-01] + - [1.024e-02 , 3.550e-01] + - [1.049e-02 , 3.365e-01] + - [1.074e-02 , 3.183e-01] + - [1.099e-02 , 3.017e-01] + - [1.124e-02 , 2.836e-01] + - [1.149e-02 , 2.653e-01] + - [1.174e-02 , 2.475e-01] + - [1.198e-02 , 2.296e-01] + - [1.223e-02 , 2.115e-01] + - [1.248e-02 , 1.935e-01] + - [1.274e-02 , 1.758e-01] + - [1.299e-02 , 1.608e-01] + - [1.324e-02 , 1.496e-01] + - [1.348e-02 , 1.398e-01] + - [1.374e-02 , 1.301e-01] + - [1.399e-02 , 1.215e-01] + - [1.424e-02 , 1.149e-01] + - [1.449e-02 , 1.115e-01] + - [1.475e-02 , 1.098e-01] + - [1.500e-02 , 1.086e-01] + - [1.552e-02 , 1.071e-01] + - [1.604e-02 , 1.062e-01] + - [1.652e-02 , 1.059e-01] + - [1.699e-02 , 1.060e-01] + - [1.750e-02 , 1.063e-01] + - [1.774e-02 , 1.067e-01] + - [1.827e-02 , 1.075e-01] + - [1.925e-02 , 1.085e-01] + - [2.097e-02 , 1.094e-01] + - [2.200e-02 , 1.102e-01] + - [2.223e-02 , 1.104e-01] + - [2.426e-02 , 1.127e-01] + - [2.530e-02 , 1.135e-01] + - [2.605e-02 , 1.138e-01] + - [2.847e-02 , 1.148e-01] + - [3.023e-02 , 1.162e-01] + - [3.146e-02 , 1.170e-01] + - [3.228e-02 , 1.173e-01] + - [3.443e-02 , 1.178e-01] + - [3.696e-02 , 1.192e-01] + - [3.859e-02 , 1.199e-01] + - [4.099e-02 , 1.204e-01] + - [4.125e-02 , 1.205e-01] + - [4.249e-02 , 1.209e-01] + - [4.275e-02 , 1.212e-01] + - [4.451e-02 , 1.220e-01] + - [4.475e-02 , 1.220e-01] + - [4.817e-02 , 1.228e-01] + - [5.024e-02 , 1.237e-01] + - [6.377e-02 , 1.275e-01] + - [8.027e-02 , 1.316e-01] + - [9.587e-02 , 1.349e-01] + - [1.108e-01 , 1.378e-01] + - [1.175e-01 , 1.389e-01] + - [1.223e-01 , 1.396e-01] + - [1.228e-01 , 1.397e-01] + - [1.391e-01 , 1.421e-01] + - [1.524e-01 , 1.437e-01] + - [1.591e-01 , 1.445e-01] + - [1.717e-01 , 1.458e-01] + - [1.977e-01 , 1.483e-01] + - [1.983e-01 , 1.486e-01] + - [1.990e-01 , 1.483e-01] + - [1.992e-01 , 1.484e-01] + - [2.119e-01 , 1.496e-01] + - [2.191e-01 , 1.503e-01] + - [2.525e-01 , 1.532e-01] + - [2.569e-01 , 1.537e-01] + - [2.753e-01 , 1.553e-01] + - [3.020e-01 , 1.576e-01] + - [3.508e-01 , 1.618e-01] + - [4.093e-01 , 1.671e-01] + - [4.247e-01 , 1.683e-01] + - [4.277e-01 , 1.686e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-11.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-11.yaml new file mode 100644 index 0000000..1e9e262 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-11.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 360 K + ignition-delay: + - 11.4 ms + pressure: + - 1151 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.726e-01] + - [1.463e-03 , 9.215e-01] + - [3.487e-03 , 8.350e-01] + - [3.744e-03 , 8.145e-01] + - [3.993e-03 , 7.935e-01] + - [4.492e-03 , 7.689e-01] + - [4.746e-03 , 7.550e-01] + - [5.484e-03 , 6.991e-01] + - [5.738e-03 , 6.846e-01] + - [6.237e-03 , 6.478e-01] + - [6.493e-03 , 6.249e-01] + - [6.742e-03 , 6.084e-01] + - [6.988e-03 , 5.905e-01] + - [7.241e-03 , 5.701e-01] + - [7.488e-03 , 5.527e-01] + - [7.741e-03 , 5.333e-01] + - [7.987e-03 , 5.168e-01] + - [8.240e-03 , 4.969e-01] + - [8.487e-03 , 4.814e-01] + - [8.738e-03 , 4.633e-01] + - [8.988e-03 , 4.450e-01] + - [9.238e-03 , 4.272e-01] + - [9.486e-03 , 4.102e-01] + - [9.738e-03 , 3.918e-01] + - [9.987e-03 , 3.742e-01] + - [1.024e-02 , 3.550e-01] + - [1.049e-02 , 3.365e-01] + - [1.074e-02 , 3.183e-01] + - [1.099e-02 , 3.017e-01] + - [1.124e-02 , 2.836e-01] + - [1.149e-02 , 2.653e-01] + - [1.174e-02 , 2.475e-01] + - [1.198e-02 , 2.296e-01] + - [1.223e-02 , 2.115e-01] + - [1.248e-02 , 1.935e-01] + - [1.274e-02 , 1.758e-01] + - [1.299e-02 , 1.608e-01] + - [1.324e-02 , 1.496e-01] + - [1.348e-02 , 1.398e-01] + - [1.374e-02 , 1.301e-01] + - [1.399e-02 , 1.215e-01] + - [1.424e-02 , 1.149e-01] + - [1.449e-02 , 1.115e-01] + - [1.475e-02 , 1.098e-01] + - [1.500e-02 , 1.086e-01] + - [1.552e-02 , 1.071e-01] + - [1.604e-02 , 1.062e-01] + - [1.652e-02 , 1.059e-01] + - [1.699e-02 , 1.060e-01] + - [1.750e-02 , 1.063e-01] + - [1.774e-02 , 1.067e-01] + - [1.827e-02 , 1.075e-01] + - [1.925e-02 , 1.085e-01] + - [2.097e-02 , 1.094e-01] + - [2.200e-02 , 1.102e-01] + - [2.223e-02 , 1.104e-01] + - [2.426e-02 , 1.127e-01] + - [2.530e-02 , 1.135e-01] + - [2.605e-02 , 1.138e-01] + - [2.847e-02 , 1.148e-01] + - [3.023e-02 , 1.162e-01] + - [3.146e-02 , 1.170e-01] + - [3.228e-02 , 1.173e-01] + - [3.443e-02 , 1.178e-01] + - [3.696e-02 , 1.192e-01] + - [3.859e-02 , 1.199e-01] + - [4.099e-02 , 1.204e-01] + - [4.125e-02 , 1.205e-01] + - [4.249e-02 , 1.209e-01] + - [4.275e-02 , 1.212e-01] + - [4.451e-02 , 1.220e-01] + - [4.475e-02 , 1.220e-01] + - [4.817e-02 , 1.228e-01] + - [5.024e-02 , 1.237e-01] + - [6.377e-02 , 1.275e-01] + - [8.027e-02 , 1.316e-01] + - [9.587e-02 , 1.349e-01] + - [1.108e-01 , 1.378e-01] + - [1.175e-01 , 1.389e-01] + - [1.223e-01 , 1.396e-01] + - [1.228e-01 , 1.397e-01] + - [1.391e-01 , 1.421e-01] + - [1.524e-01 , 1.437e-01] + - [1.591e-01 , 1.445e-01] + - [1.717e-01 , 1.458e-01] + - [1.977e-01 , 1.483e-01] + - [1.983e-01 , 1.486e-01] + - [1.990e-01 , 1.483e-01] + - [1.992e-01 , 1.484e-01] + - [2.119e-01 , 1.496e-01] + - [2.191e-01 , 1.503e-01] + - [2.525e-01 , 1.532e-01] + - [2.569e-01 , 1.537e-01] + - [2.753e-01 , 1.553e-01] + - [3.020e-01 , 1.576e-01] + - [3.508e-01 , 1.618e-01] + - [4.093e-01 , 1.671e-01] + - [4.247e-01 , 1.683e-01] + - [4.277e-01 , 1.686e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-12.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-12.yaml new file mode 100644 index 0000000..520426c --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-12.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 365 K + ignition-delay: + - 7.1 ms + pressure: + - 1160 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.726e-01] + - [1.463e-03 , 9.215e-01] + - [3.487e-03 , 8.350e-01] + - [3.744e-03 , 8.145e-01] + - [3.993e-03 , 7.935e-01] + - [4.492e-03 , 7.689e-01] + - [4.746e-03 , 7.550e-01] + - [5.484e-03 , 6.991e-01] + - [5.738e-03 , 6.846e-01] + - [6.237e-03 , 6.478e-01] + - [6.493e-03 , 6.249e-01] + - [6.742e-03 , 6.084e-01] + - [6.988e-03 , 5.905e-01] + - [7.241e-03 , 5.701e-01] + - [7.488e-03 , 5.527e-01] + - [7.741e-03 , 5.333e-01] + - [7.987e-03 , 5.168e-01] + - [8.240e-03 , 4.969e-01] + - [8.487e-03 , 4.814e-01] + - [8.738e-03 , 4.633e-01] + - [8.988e-03 , 4.450e-01] + - [9.238e-03 , 4.272e-01] + - [9.486e-03 , 4.102e-01] + - [9.738e-03 , 3.918e-01] + - [9.987e-03 , 3.742e-01] + - [1.024e-02 , 3.550e-01] + - [1.049e-02 , 3.365e-01] + - [1.074e-02 , 3.183e-01] + - [1.099e-02 , 3.017e-01] + - [1.124e-02 , 2.836e-01] + - [1.149e-02 , 2.653e-01] + - [1.174e-02 , 2.475e-01] + - [1.198e-02 , 2.296e-01] + - [1.223e-02 , 2.115e-01] + - [1.248e-02 , 1.935e-01] + - [1.274e-02 , 1.758e-01] + - [1.299e-02 , 1.608e-01] + - [1.324e-02 , 1.496e-01] + - [1.348e-02 , 1.398e-01] + - [1.374e-02 , 1.301e-01] + - [1.399e-02 , 1.215e-01] + - [1.424e-02 , 1.149e-01] + - [1.449e-02 , 1.115e-01] + - [1.475e-02 , 1.098e-01] + - [1.500e-02 , 1.086e-01] + - [1.552e-02 , 1.071e-01] + - [1.604e-02 , 1.062e-01] + - [1.652e-02 , 1.059e-01] + - [1.699e-02 , 1.060e-01] + - [1.750e-02 , 1.063e-01] + - [1.774e-02 , 1.067e-01] + - [1.827e-02 , 1.075e-01] + - [1.925e-02 , 1.085e-01] + - [2.097e-02 , 1.094e-01] + - [2.200e-02 , 1.102e-01] + - [2.223e-02 , 1.104e-01] + - [2.426e-02 , 1.127e-01] + - [2.530e-02 , 1.135e-01] + - [2.605e-02 , 1.138e-01] + - [2.847e-02 , 1.148e-01] + - [3.023e-02 , 1.162e-01] + - [3.146e-02 , 1.170e-01] + - [3.228e-02 , 1.173e-01] + - [3.443e-02 , 1.178e-01] + - [3.696e-02 , 1.192e-01] + - [3.859e-02 , 1.199e-01] + - [4.099e-02 , 1.204e-01] + - [4.125e-02 , 1.205e-01] + - [4.249e-02 , 1.209e-01] + - [4.275e-02 , 1.212e-01] + - [4.451e-02 , 1.220e-01] + - [4.475e-02 , 1.220e-01] + - [4.817e-02 , 1.228e-01] + - [5.024e-02 , 1.237e-01] + - [6.377e-02 , 1.275e-01] + - [8.027e-02 , 1.316e-01] + - [9.587e-02 , 1.349e-01] + - [1.108e-01 , 1.378e-01] + - [1.175e-01 , 1.389e-01] + - [1.223e-01 , 1.396e-01] + - [1.228e-01 , 1.397e-01] + - [1.391e-01 , 1.421e-01] + - [1.524e-01 , 1.437e-01] + - [1.591e-01 , 1.445e-01] + - [1.717e-01 , 1.458e-01] + - [1.977e-01 , 1.483e-01] + - [1.983e-01 , 1.486e-01] + - [1.990e-01 , 1.483e-01] + - [1.992e-01 , 1.484e-01] + - [2.119e-01 , 1.496e-01] + - [2.191e-01 , 1.503e-01] + - [2.525e-01 , 1.532e-01] + - [2.569e-01 , 1.537e-01] + - [2.753e-01 , 1.553e-01] + - [3.020e-01 , 1.576e-01] + - [3.508e-01 , 1.618e-01] + - [4.093e-01 , 1.671e-01] + - [4.247e-01 , 1.683e-01] + - [4.277e-01 , 1.686e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-13.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-13.yaml new file mode 100644 index 0000000..c759738 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-13.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 365 K + ignition-delay: + - 7.5 ms + pressure: + - 1159 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.726e-01] + - [1.463e-03 , 9.215e-01] + - [3.487e-03 , 8.350e-01] + - [3.744e-03 , 8.145e-01] + - [3.993e-03 , 7.935e-01] + - [4.492e-03 , 7.689e-01] + - [4.746e-03 , 7.550e-01] + - [5.484e-03 , 6.991e-01] + - [5.738e-03 , 6.846e-01] + - [6.237e-03 , 6.478e-01] + - [6.493e-03 , 6.249e-01] + - [6.742e-03 , 6.084e-01] + - [6.988e-03 , 5.905e-01] + - [7.241e-03 , 5.701e-01] + - [7.488e-03 , 5.527e-01] + - [7.741e-03 , 5.333e-01] + - [7.987e-03 , 5.168e-01] + - [8.240e-03 , 4.969e-01] + - [8.487e-03 , 4.814e-01] + - [8.738e-03 , 4.633e-01] + - [8.988e-03 , 4.450e-01] + - [9.238e-03 , 4.272e-01] + - [9.486e-03 , 4.102e-01] + - [9.738e-03 , 3.918e-01] + - [9.987e-03 , 3.742e-01] + - [1.024e-02 , 3.550e-01] + - [1.049e-02 , 3.365e-01] + - [1.074e-02 , 3.183e-01] + - [1.099e-02 , 3.017e-01] + - [1.124e-02 , 2.836e-01] + - [1.149e-02 , 2.653e-01] + - [1.174e-02 , 2.475e-01] + - [1.198e-02 , 2.296e-01] + - [1.223e-02 , 2.115e-01] + - [1.248e-02 , 1.935e-01] + - [1.274e-02 , 1.758e-01] + - [1.299e-02 , 1.608e-01] + - [1.324e-02 , 1.496e-01] + - [1.348e-02 , 1.398e-01] + - [1.374e-02 , 1.301e-01] + - [1.399e-02 , 1.215e-01] + - [1.424e-02 , 1.149e-01] + - [1.449e-02 , 1.115e-01] + - [1.475e-02 , 1.098e-01] + - [1.500e-02 , 1.086e-01] + - [1.552e-02 , 1.071e-01] + - [1.604e-02 , 1.062e-01] + - [1.652e-02 , 1.059e-01] + - [1.699e-02 , 1.060e-01] + - [1.750e-02 , 1.063e-01] + - [1.774e-02 , 1.067e-01] + - [1.827e-02 , 1.075e-01] + - [1.925e-02 , 1.085e-01] + - [2.097e-02 , 1.094e-01] + - [2.200e-02 , 1.102e-01] + - [2.223e-02 , 1.104e-01] + - [2.426e-02 , 1.127e-01] + - [2.530e-02 , 1.135e-01] + - [2.605e-02 , 1.138e-01] + - [2.847e-02 , 1.148e-01] + - [3.023e-02 , 1.162e-01] + - [3.146e-02 , 1.170e-01] + - [3.228e-02 , 1.173e-01] + - [3.443e-02 , 1.178e-01] + - [3.696e-02 , 1.192e-01] + - [3.859e-02 , 1.199e-01] + - [4.099e-02 , 1.204e-01] + - [4.125e-02 , 1.205e-01] + - [4.249e-02 , 1.209e-01] + - [4.275e-02 , 1.212e-01] + - [4.451e-02 , 1.220e-01] + - [4.475e-02 , 1.220e-01] + - [4.817e-02 , 1.228e-01] + - [5.024e-02 , 1.237e-01] + - [6.377e-02 , 1.275e-01] + - [8.027e-02 , 1.316e-01] + - [9.587e-02 , 1.349e-01] + - [1.108e-01 , 1.378e-01] + - [1.175e-01 , 1.389e-01] + - [1.223e-01 , 1.396e-01] + - [1.228e-01 , 1.397e-01] + - [1.391e-01 , 1.421e-01] + - [1.524e-01 , 1.437e-01] + - [1.591e-01 , 1.445e-01] + - [1.717e-01 , 1.458e-01] + - [1.977e-01 , 1.483e-01] + - [1.983e-01 , 1.486e-01] + - [1.990e-01 , 1.483e-01] + - [1.992e-01 , 1.484e-01] + - [2.119e-01 , 1.496e-01] + - [2.191e-01 , 1.503e-01] + - [2.525e-01 , 1.532e-01] + - [2.569e-01 , 1.537e-01] + - [2.753e-01 , 1.553e-01] + - [3.020e-01 , 1.576e-01] + - [3.508e-01 , 1.618e-01] + - [4.093e-01 , 1.671e-01] + - [4.247e-01 , 1.683e-01] + - [4.277e-01 , 1.686e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-14.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-14.yaml new file mode 100644 index 0000000..c58b32f --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-14.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 370 K + ignition-delay: + - 5.2 ms + pressure: + - 1151 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.726e-01] + - [1.463e-03 , 9.215e-01] + - [3.487e-03 , 8.350e-01] + - [3.744e-03 , 8.145e-01] + - [3.993e-03 , 7.935e-01] + - [4.492e-03 , 7.689e-01] + - [4.746e-03 , 7.550e-01] + - [5.484e-03 , 6.991e-01] + - [5.738e-03 , 6.846e-01] + - [6.237e-03 , 6.478e-01] + - [6.493e-03 , 6.249e-01] + - [6.742e-03 , 6.084e-01] + - [6.988e-03 , 5.905e-01] + - [7.241e-03 , 5.701e-01] + - [7.488e-03 , 5.527e-01] + - [7.741e-03 , 5.333e-01] + - [7.987e-03 , 5.168e-01] + - [8.240e-03 , 4.969e-01] + - [8.487e-03 , 4.814e-01] + - [8.738e-03 , 4.633e-01] + - [8.988e-03 , 4.450e-01] + - [9.238e-03 , 4.272e-01] + - [9.486e-03 , 4.102e-01] + - [9.738e-03 , 3.918e-01] + - [9.987e-03 , 3.742e-01] + - [1.024e-02 , 3.550e-01] + - [1.049e-02 , 3.365e-01] + - [1.074e-02 , 3.183e-01] + - [1.099e-02 , 3.017e-01] + - [1.124e-02 , 2.836e-01] + - [1.149e-02 , 2.653e-01] + - [1.174e-02 , 2.475e-01] + - [1.198e-02 , 2.296e-01] + - [1.223e-02 , 2.115e-01] + - [1.248e-02 , 1.935e-01] + - [1.274e-02 , 1.758e-01] + - [1.299e-02 , 1.608e-01] + - [1.324e-02 , 1.496e-01] + - [1.348e-02 , 1.398e-01] + - [1.374e-02 , 1.301e-01] + - [1.399e-02 , 1.215e-01] + - [1.424e-02 , 1.149e-01] + - [1.449e-02 , 1.115e-01] + - [1.475e-02 , 1.098e-01] + - [1.500e-02 , 1.086e-01] + - [1.552e-02 , 1.071e-01] + - [1.604e-02 , 1.062e-01] + - [1.652e-02 , 1.059e-01] + - [1.699e-02 , 1.060e-01] + - [1.750e-02 , 1.063e-01] + - [1.774e-02 , 1.067e-01] + - [1.827e-02 , 1.075e-01] + - [1.925e-02 , 1.085e-01] + - [2.097e-02 , 1.094e-01] + - [2.200e-02 , 1.102e-01] + - [2.223e-02 , 1.104e-01] + - [2.426e-02 , 1.127e-01] + - [2.530e-02 , 1.135e-01] + - [2.605e-02 , 1.138e-01] + - [2.847e-02 , 1.148e-01] + - [3.023e-02 , 1.162e-01] + - [3.146e-02 , 1.170e-01] + - [3.228e-02 , 1.173e-01] + - [3.443e-02 , 1.178e-01] + - [3.696e-02 , 1.192e-01] + - [3.859e-02 , 1.199e-01] + - [4.099e-02 , 1.204e-01] + - [4.125e-02 , 1.205e-01] + - [4.249e-02 , 1.209e-01] + - [4.275e-02 , 1.212e-01] + - [4.451e-02 , 1.220e-01] + - [4.475e-02 , 1.220e-01] + - [4.817e-02 , 1.228e-01] + - [5.024e-02 , 1.237e-01] + - [6.377e-02 , 1.275e-01] + - [8.027e-02 , 1.316e-01] + - [9.587e-02 , 1.349e-01] + - [1.108e-01 , 1.378e-01] + - [1.175e-01 , 1.389e-01] + - [1.223e-01 , 1.396e-01] + - [1.228e-01 , 1.397e-01] + - [1.391e-01 , 1.421e-01] + - [1.524e-01 , 1.437e-01] + - [1.591e-01 , 1.445e-01] + - [1.717e-01 , 1.458e-01] + - [1.977e-01 , 1.483e-01] + - [1.983e-01 , 1.486e-01] + - [1.990e-01 , 1.483e-01] + - [1.992e-01 , 1.484e-01] + - [2.119e-01 , 1.496e-01] + - [2.191e-01 , 1.503e-01] + - [2.525e-01 , 1.532e-01] + - [2.569e-01 , 1.537e-01] + - [2.753e-01 , 1.553e-01] + - [3.020e-01 , 1.576e-01] + - [3.508e-01 , 1.618e-01] + - [4.093e-01 , 1.671e-01] + - [4.247e-01 , 1.683e-01] + - [4.277e-01 , 1.686e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-15.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-15.yaml new file mode 100644 index 0000000..520426c --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-15.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 365 K + ignition-delay: + - 7.1 ms + pressure: + - 1160 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.726e-01] + - [1.463e-03 , 9.215e-01] + - [3.487e-03 , 8.350e-01] + - [3.744e-03 , 8.145e-01] + - [3.993e-03 , 7.935e-01] + - [4.492e-03 , 7.689e-01] + - [4.746e-03 , 7.550e-01] + - [5.484e-03 , 6.991e-01] + - [5.738e-03 , 6.846e-01] + - [6.237e-03 , 6.478e-01] + - [6.493e-03 , 6.249e-01] + - [6.742e-03 , 6.084e-01] + - [6.988e-03 , 5.905e-01] + - [7.241e-03 , 5.701e-01] + - [7.488e-03 , 5.527e-01] + - [7.741e-03 , 5.333e-01] + - [7.987e-03 , 5.168e-01] + - [8.240e-03 , 4.969e-01] + - [8.487e-03 , 4.814e-01] + - [8.738e-03 , 4.633e-01] + - [8.988e-03 , 4.450e-01] + - [9.238e-03 , 4.272e-01] + - [9.486e-03 , 4.102e-01] + - [9.738e-03 , 3.918e-01] + - [9.987e-03 , 3.742e-01] + - [1.024e-02 , 3.550e-01] + - [1.049e-02 , 3.365e-01] + - [1.074e-02 , 3.183e-01] + - [1.099e-02 , 3.017e-01] + - [1.124e-02 , 2.836e-01] + - [1.149e-02 , 2.653e-01] + - [1.174e-02 , 2.475e-01] + - [1.198e-02 , 2.296e-01] + - [1.223e-02 , 2.115e-01] + - [1.248e-02 , 1.935e-01] + - [1.274e-02 , 1.758e-01] + - [1.299e-02 , 1.608e-01] + - [1.324e-02 , 1.496e-01] + - [1.348e-02 , 1.398e-01] + - [1.374e-02 , 1.301e-01] + - [1.399e-02 , 1.215e-01] + - [1.424e-02 , 1.149e-01] + - [1.449e-02 , 1.115e-01] + - [1.475e-02 , 1.098e-01] + - [1.500e-02 , 1.086e-01] + - [1.552e-02 , 1.071e-01] + - [1.604e-02 , 1.062e-01] + - [1.652e-02 , 1.059e-01] + - [1.699e-02 , 1.060e-01] + - [1.750e-02 , 1.063e-01] + - [1.774e-02 , 1.067e-01] + - [1.827e-02 , 1.075e-01] + - [1.925e-02 , 1.085e-01] + - [2.097e-02 , 1.094e-01] + - [2.200e-02 , 1.102e-01] + - [2.223e-02 , 1.104e-01] + - [2.426e-02 , 1.127e-01] + - [2.530e-02 , 1.135e-01] + - [2.605e-02 , 1.138e-01] + - [2.847e-02 , 1.148e-01] + - [3.023e-02 , 1.162e-01] + - [3.146e-02 , 1.170e-01] + - [3.228e-02 , 1.173e-01] + - [3.443e-02 , 1.178e-01] + - [3.696e-02 , 1.192e-01] + - [3.859e-02 , 1.199e-01] + - [4.099e-02 , 1.204e-01] + - [4.125e-02 , 1.205e-01] + - [4.249e-02 , 1.209e-01] + - [4.275e-02 , 1.212e-01] + - [4.451e-02 , 1.220e-01] + - [4.475e-02 , 1.220e-01] + - [4.817e-02 , 1.228e-01] + - [5.024e-02 , 1.237e-01] + - [6.377e-02 , 1.275e-01] + - [8.027e-02 , 1.316e-01] + - [9.587e-02 , 1.349e-01] + - [1.108e-01 , 1.378e-01] + - [1.175e-01 , 1.389e-01] + - [1.223e-01 , 1.396e-01] + - [1.228e-01 , 1.397e-01] + - [1.391e-01 , 1.421e-01] + - [1.524e-01 , 1.437e-01] + - [1.591e-01 , 1.445e-01] + - [1.717e-01 , 1.458e-01] + - [1.977e-01 , 1.483e-01] + - [1.983e-01 , 1.486e-01] + - [1.990e-01 , 1.483e-01] + - [1.992e-01 , 1.484e-01] + - [2.119e-01 , 1.496e-01] + - [2.191e-01 , 1.503e-01] + - [2.525e-01 , 1.532e-01] + - [2.569e-01 , 1.537e-01] + - [2.753e-01 , 1.553e-01] + - [3.020e-01 , 1.576e-01] + - [3.508e-01 , 1.618e-01] + - [4.093e-01 , 1.671e-01] + - [4.247e-01 , 1.683e-01] + - [4.277e-01 , 1.686e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-16.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-16.yaml new file mode 100644 index 0000000..129dc91 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-16.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 370 K + ignition-delay: + - 5.1 ms + pressure: + - 1156 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.726e-01] + - [1.463e-03 , 9.215e-01] + - [3.487e-03 , 8.350e-01] + - [3.744e-03 , 8.145e-01] + - [3.993e-03 , 7.935e-01] + - [4.492e-03 , 7.689e-01] + - [4.746e-03 , 7.550e-01] + - [5.484e-03 , 6.991e-01] + - [5.738e-03 , 6.846e-01] + - [6.237e-03 , 6.478e-01] + - [6.493e-03 , 6.249e-01] + - [6.742e-03 , 6.084e-01] + - [6.988e-03 , 5.905e-01] + - [7.241e-03 , 5.701e-01] + - [7.488e-03 , 5.527e-01] + - [7.741e-03 , 5.333e-01] + - [7.987e-03 , 5.168e-01] + - [8.240e-03 , 4.969e-01] + - [8.487e-03 , 4.814e-01] + - [8.738e-03 , 4.633e-01] + - [8.988e-03 , 4.450e-01] + - [9.238e-03 , 4.272e-01] + - [9.486e-03 , 4.102e-01] + - [9.738e-03 , 3.918e-01] + - [9.987e-03 , 3.742e-01] + - [1.024e-02 , 3.550e-01] + - [1.049e-02 , 3.365e-01] + - [1.074e-02 , 3.183e-01] + - [1.099e-02 , 3.017e-01] + - [1.124e-02 , 2.836e-01] + - [1.149e-02 , 2.653e-01] + - [1.174e-02 , 2.475e-01] + - [1.198e-02 , 2.296e-01] + - [1.223e-02 , 2.115e-01] + - [1.248e-02 , 1.935e-01] + - [1.274e-02 , 1.758e-01] + - [1.299e-02 , 1.608e-01] + - [1.324e-02 , 1.496e-01] + - [1.348e-02 , 1.398e-01] + - [1.374e-02 , 1.301e-01] + - [1.399e-02 , 1.215e-01] + - [1.424e-02 , 1.149e-01] + - [1.449e-02 , 1.115e-01] + - [1.475e-02 , 1.098e-01] + - [1.500e-02 , 1.086e-01] + - [1.552e-02 , 1.071e-01] + - [1.604e-02 , 1.062e-01] + - [1.652e-02 , 1.059e-01] + - [1.699e-02 , 1.060e-01] + - [1.750e-02 , 1.063e-01] + - [1.774e-02 , 1.067e-01] + - [1.827e-02 , 1.075e-01] + - [1.925e-02 , 1.085e-01] + - [2.097e-02 , 1.094e-01] + - [2.200e-02 , 1.102e-01] + - [2.223e-02 , 1.104e-01] + - [2.426e-02 , 1.127e-01] + - [2.530e-02 , 1.135e-01] + - [2.605e-02 , 1.138e-01] + - [2.847e-02 , 1.148e-01] + - [3.023e-02 , 1.162e-01] + - [3.146e-02 , 1.170e-01] + - [3.228e-02 , 1.173e-01] + - [3.443e-02 , 1.178e-01] + - [3.696e-02 , 1.192e-01] + - [3.859e-02 , 1.199e-01] + - [4.099e-02 , 1.204e-01] + - [4.125e-02 , 1.205e-01] + - [4.249e-02 , 1.209e-01] + - [4.275e-02 , 1.212e-01] + - [4.451e-02 , 1.220e-01] + - [4.475e-02 , 1.220e-01] + - [4.817e-02 , 1.228e-01] + - [5.024e-02 , 1.237e-01] + - [6.377e-02 , 1.275e-01] + - [8.027e-02 , 1.316e-01] + - [9.587e-02 , 1.349e-01] + - [1.108e-01 , 1.378e-01] + - [1.175e-01 , 1.389e-01] + - [1.223e-01 , 1.396e-01] + - [1.228e-01 , 1.397e-01] + - [1.391e-01 , 1.421e-01] + - [1.524e-01 , 1.437e-01] + - [1.591e-01 , 1.445e-01] + - [1.717e-01 , 1.458e-01] + - [1.977e-01 , 1.483e-01] + - [1.983e-01 , 1.486e-01] + - [1.990e-01 , 1.483e-01] + - [1.992e-01 , 1.484e-01] + - [2.119e-01 , 1.496e-01] + - [2.191e-01 , 1.503e-01] + - [2.525e-01 , 1.532e-01] + - [2.569e-01 , 1.537e-01] + - [2.753e-01 , 1.553e-01] + - [3.020e-01 , 1.576e-01] + - [3.508e-01 , 1.618e-01] + - [4.093e-01 , 1.671e-01] + - [4.247e-01 , 1.683e-01] + - [4.277e-01 , 1.686e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-17.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-17.yaml new file mode 100644 index 0000000..18e3e53 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-17.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 370 K + ignition-delay: + - 5.0 ms + pressure: + - 1155 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.726e-01] + - [1.463e-03 , 9.215e-01] + - [3.487e-03 , 8.350e-01] + - [3.744e-03 , 8.145e-01] + - [3.993e-03 , 7.935e-01] + - [4.492e-03 , 7.689e-01] + - [4.746e-03 , 7.550e-01] + - [5.484e-03 , 6.991e-01] + - [5.738e-03 , 6.846e-01] + - [6.237e-03 , 6.478e-01] + - [6.493e-03 , 6.249e-01] + - [6.742e-03 , 6.084e-01] + - [6.988e-03 , 5.905e-01] + - [7.241e-03 , 5.701e-01] + - [7.488e-03 , 5.527e-01] + - [7.741e-03 , 5.333e-01] + - [7.987e-03 , 5.168e-01] + - [8.240e-03 , 4.969e-01] + - [8.487e-03 , 4.814e-01] + - [8.738e-03 , 4.633e-01] + - [8.988e-03 , 4.450e-01] + - [9.238e-03 , 4.272e-01] + - [9.486e-03 , 4.102e-01] + - [9.738e-03 , 3.918e-01] + - [9.987e-03 , 3.742e-01] + - [1.024e-02 , 3.550e-01] + - [1.049e-02 , 3.365e-01] + - [1.074e-02 , 3.183e-01] + - [1.099e-02 , 3.017e-01] + - [1.124e-02 , 2.836e-01] + - [1.149e-02 , 2.653e-01] + - [1.174e-02 , 2.475e-01] + - [1.198e-02 , 2.296e-01] + - [1.223e-02 , 2.115e-01] + - [1.248e-02 , 1.935e-01] + - [1.274e-02 , 1.758e-01] + - [1.299e-02 , 1.608e-01] + - [1.324e-02 , 1.496e-01] + - [1.348e-02 , 1.398e-01] + - [1.374e-02 , 1.301e-01] + - [1.399e-02 , 1.215e-01] + - [1.424e-02 , 1.149e-01] + - [1.449e-02 , 1.115e-01] + - [1.475e-02 , 1.098e-01] + - [1.500e-02 , 1.086e-01] + - [1.552e-02 , 1.071e-01] + - [1.604e-02 , 1.062e-01] + - [1.652e-02 , 1.059e-01] + - [1.699e-02 , 1.060e-01] + - [1.750e-02 , 1.063e-01] + - [1.774e-02 , 1.067e-01] + - [1.827e-02 , 1.075e-01] + - [1.925e-02 , 1.085e-01] + - [2.097e-02 , 1.094e-01] + - [2.200e-02 , 1.102e-01] + - [2.223e-02 , 1.104e-01] + - [2.426e-02 , 1.127e-01] + - [2.530e-02 , 1.135e-01] + - [2.605e-02 , 1.138e-01] + - [2.847e-02 , 1.148e-01] + - [3.023e-02 , 1.162e-01] + - [3.146e-02 , 1.170e-01] + - [3.228e-02 , 1.173e-01] + - [3.443e-02 , 1.178e-01] + - [3.696e-02 , 1.192e-01] + - [3.859e-02 , 1.199e-01] + - [4.099e-02 , 1.204e-01] + - [4.125e-02 , 1.205e-01] + - [4.249e-02 , 1.209e-01] + - [4.275e-02 , 1.212e-01] + - [4.451e-02 , 1.220e-01] + - [4.475e-02 , 1.220e-01] + - [4.817e-02 , 1.228e-01] + - [5.024e-02 , 1.237e-01] + - [6.377e-02 , 1.275e-01] + - [8.027e-02 , 1.316e-01] + - [9.587e-02 , 1.349e-01] + - [1.108e-01 , 1.378e-01] + - [1.175e-01 , 1.389e-01] + - [1.223e-01 , 1.396e-01] + - [1.228e-01 , 1.397e-01] + - [1.391e-01 , 1.421e-01] + - [1.524e-01 , 1.437e-01] + - [1.591e-01 , 1.445e-01] + - [1.717e-01 , 1.458e-01] + - [1.977e-01 , 1.483e-01] + - [1.983e-01 , 1.486e-01] + - [1.990e-01 , 1.483e-01] + - [1.992e-01 , 1.484e-01] + - [2.119e-01 , 1.496e-01] + - [2.191e-01 , 1.503e-01] + - [2.525e-01 , 1.532e-01] + - [2.569e-01 , 1.537e-01] + - [2.753e-01 , 1.553e-01] + - [3.020e-01 , 1.576e-01] + - [3.508e-01 , 1.618e-01] + - [4.093e-01 , 1.671e-01] + - [4.247e-01 , 1.683e-01] + - [4.277e-01 , 1.686e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-18.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-18.yaml new file mode 100644 index 0000000..b419b89 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-18.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 345 K + ignition-delay: + - 81.6 ms + pressure: + - 1168 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.726e-01] + - [1.463e-03 , 9.215e-01] + - [3.487e-03 , 8.350e-01] + - [3.744e-03 , 8.145e-01] + - [3.993e-03 , 7.935e-01] + - [4.492e-03 , 7.689e-01] + - [4.746e-03 , 7.550e-01] + - [5.484e-03 , 6.991e-01] + - [5.738e-03 , 6.846e-01] + - [6.237e-03 , 6.478e-01] + - [6.493e-03 , 6.249e-01] + - [6.742e-03 , 6.084e-01] + - [6.988e-03 , 5.905e-01] + - [7.241e-03 , 5.701e-01] + - [7.488e-03 , 5.527e-01] + - [7.741e-03 , 5.333e-01] + - [7.987e-03 , 5.168e-01] + - [8.240e-03 , 4.969e-01] + - [8.487e-03 , 4.814e-01] + - [8.738e-03 , 4.633e-01] + - [8.988e-03 , 4.450e-01] + - [9.238e-03 , 4.272e-01] + - [9.486e-03 , 4.102e-01] + - [9.738e-03 , 3.918e-01] + - [9.987e-03 , 3.742e-01] + - [1.024e-02 , 3.550e-01] + - [1.049e-02 , 3.365e-01] + - [1.074e-02 , 3.183e-01] + - [1.099e-02 , 3.017e-01] + - [1.124e-02 , 2.836e-01] + - [1.149e-02 , 2.653e-01] + - [1.174e-02 , 2.475e-01] + - [1.198e-02 , 2.296e-01] + - [1.223e-02 , 2.115e-01] + - [1.248e-02 , 1.935e-01] + - [1.274e-02 , 1.758e-01] + - [1.299e-02 , 1.608e-01] + - [1.324e-02 , 1.496e-01] + - [1.348e-02 , 1.398e-01] + - [1.374e-02 , 1.301e-01] + - [1.399e-02 , 1.215e-01] + - [1.424e-02 , 1.149e-01] + - [1.449e-02 , 1.115e-01] + - [1.475e-02 , 1.098e-01] + - [1.500e-02 , 1.086e-01] + - [1.552e-02 , 1.071e-01] + - [1.604e-02 , 1.062e-01] + - [1.652e-02 , 1.059e-01] + - [1.699e-02 , 1.060e-01] + - [1.750e-02 , 1.063e-01] + - [1.774e-02 , 1.067e-01] + - [1.827e-02 , 1.075e-01] + - [1.925e-02 , 1.085e-01] + - [2.097e-02 , 1.094e-01] + - [2.200e-02 , 1.102e-01] + - [2.223e-02 , 1.104e-01] + - [2.426e-02 , 1.127e-01] + - [2.530e-02 , 1.135e-01] + - [2.605e-02 , 1.138e-01] + - [2.847e-02 , 1.148e-01] + - [3.023e-02 , 1.162e-01] + - [3.146e-02 , 1.170e-01] + - [3.228e-02 , 1.173e-01] + - [3.443e-02 , 1.178e-01] + - [3.696e-02 , 1.192e-01] + - [3.859e-02 , 1.199e-01] + - [4.099e-02 , 1.204e-01] + - [4.125e-02 , 1.205e-01] + - [4.249e-02 , 1.209e-01] + - [4.275e-02 , 1.212e-01] + - [4.451e-02 , 1.220e-01] + - [4.475e-02 , 1.220e-01] + - [4.817e-02 , 1.228e-01] + - [5.024e-02 , 1.237e-01] + - [6.377e-02 , 1.275e-01] + - [8.027e-02 , 1.316e-01] + - [9.587e-02 , 1.349e-01] + - [1.108e-01 , 1.378e-01] + - [1.175e-01 , 1.389e-01] + - [1.223e-01 , 1.396e-01] + - [1.228e-01 , 1.397e-01] + - [1.391e-01 , 1.421e-01] + - [1.524e-01 , 1.437e-01] + - [1.591e-01 , 1.445e-01] + - [1.717e-01 , 1.458e-01] + - [1.977e-01 , 1.483e-01] + - [1.983e-01 , 1.486e-01] + - [1.990e-01 , 1.483e-01] + - [1.992e-01 , 1.484e-01] + - [2.119e-01 , 1.496e-01] + - [2.191e-01 , 1.503e-01] + - [2.525e-01 , 1.532e-01] + - [2.569e-01 , 1.537e-01] + - [2.753e-01 , 1.553e-01] + - [3.020e-01 , 1.576e-01] + - [3.508e-01 , 1.618e-01] + - [4.093e-01 , 1.671e-01] + - [4.247e-01 , 1.683e-01] + - [4.277e-01 , 1.686e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-19.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-19.yaml new file mode 100644 index 0000000..622695f --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-19.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 345 K + ignition-delay: + - 54.5 ms + pressure: + - 1167 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.726e-01] + - [1.463e-03 , 9.215e-01] + - [3.487e-03 , 8.350e-01] + - [3.744e-03 , 8.145e-01] + - [3.993e-03 , 7.935e-01] + - [4.492e-03 , 7.689e-01] + - [4.746e-03 , 7.550e-01] + - [5.484e-03 , 6.991e-01] + - [5.738e-03 , 6.846e-01] + - [6.237e-03 , 6.478e-01] + - [6.493e-03 , 6.249e-01] + - [6.742e-03 , 6.084e-01] + - [6.988e-03 , 5.905e-01] + - [7.241e-03 , 5.701e-01] + - [7.488e-03 , 5.527e-01] + - [7.741e-03 , 5.333e-01] + - [7.987e-03 , 5.168e-01] + - [8.240e-03 , 4.969e-01] + - [8.487e-03 , 4.814e-01] + - [8.738e-03 , 4.633e-01] + - [8.988e-03 , 4.450e-01] + - [9.238e-03 , 4.272e-01] + - [9.486e-03 , 4.102e-01] + - [9.738e-03 , 3.918e-01] + - [9.987e-03 , 3.742e-01] + - [1.024e-02 , 3.550e-01] + - [1.049e-02 , 3.365e-01] + - [1.074e-02 , 3.183e-01] + - [1.099e-02 , 3.017e-01] + - [1.124e-02 , 2.836e-01] + - [1.149e-02 , 2.653e-01] + - [1.174e-02 , 2.475e-01] + - [1.198e-02 , 2.296e-01] + - [1.223e-02 , 2.115e-01] + - [1.248e-02 , 1.935e-01] + - [1.274e-02 , 1.758e-01] + - [1.299e-02 , 1.608e-01] + - [1.324e-02 , 1.496e-01] + - [1.348e-02 , 1.398e-01] + - [1.374e-02 , 1.301e-01] + - [1.399e-02 , 1.215e-01] + - [1.424e-02 , 1.149e-01] + - [1.449e-02 , 1.115e-01] + - [1.475e-02 , 1.098e-01] + - [1.500e-02 , 1.086e-01] + - [1.552e-02 , 1.071e-01] + - [1.604e-02 , 1.062e-01] + - [1.652e-02 , 1.059e-01] + - [1.699e-02 , 1.060e-01] + - [1.750e-02 , 1.063e-01] + - [1.774e-02 , 1.067e-01] + - [1.827e-02 , 1.075e-01] + - [1.925e-02 , 1.085e-01] + - [2.097e-02 , 1.094e-01] + - [2.200e-02 , 1.102e-01] + - [2.223e-02 , 1.104e-01] + - [2.426e-02 , 1.127e-01] + - [2.530e-02 , 1.135e-01] + - [2.605e-02 , 1.138e-01] + - [2.847e-02 , 1.148e-01] + - [3.023e-02 , 1.162e-01] + - [3.146e-02 , 1.170e-01] + - [3.228e-02 , 1.173e-01] + - [3.443e-02 , 1.178e-01] + - [3.696e-02 , 1.192e-01] + - [3.859e-02 , 1.199e-01] + - [4.099e-02 , 1.204e-01] + - [4.125e-02 , 1.205e-01] + - [4.249e-02 , 1.209e-01] + - [4.275e-02 , 1.212e-01] + - [4.451e-02 , 1.220e-01] + - [4.475e-02 , 1.220e-01] + - [4.817e-02 , 1.228e-01] + - [5.024e-02 , 1.237e-01] + - [6.377e-02 , 1.275e-01] + - [8.027e-02 , 1.316e-01] + - [9.587e-02 , 1.349e-01] + - [1.108e-01 , 1.378e-01] + - [1.175e-01 , 1.389e-01] + - [1.223e-01 , 1.396e-01] + - [1.228e-01 , 1.397e-01] + - [1.391e-01 , 1.421e-01] + - [1.524e-01 , 1.437e-01] + - [1.591e-01 , 1.445e-01] + - [1.717e-01 , 1.458e-01] + - [1.977e-01 , 1.483e-01] + - [1.983e-01 , 1.486e-01] + - [1.990e-01 , 1.483e-01] + - [1.992e-01 , 1.484e-01] + - [2.119e-01 , 1.496e-01] + - [2.191e-01 , 1.503e-01] + - [2.525e-01 , 1.532e-01] + - [2.569e-01 , 1.537e-01] + - [2.753e-01 , 1.553e-01] + - [3.020e-01 , 1.576e-01] + - [3.508e-01 , 1.618e-01] + - [4.093e-01 , 1.671e-01] + - [4.247e-01 , 1.683e-01] + - [4.277e-01 , 1.686e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-2.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-2.yaml new file mode 100644 index 0000000..74abe11 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-2.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 350 K + ignition-delay: + - 27.7 ms + pressure: + - 1159 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.726e-01] + - [1.463e-03 , 9.215e-01] + - [3.487e-03 , 8.350e-01] + - [3.744e-03 , 8.145e-01] + - [3.993e-03 , 7.935e-01] + - [4.492e-03 , 7.689e-01] + - [4.746e-03 , 7.550e-01] + - [5.484e-03 , 6.991e-01] + - [5.738e-03 , 6.846e-01] + - [6.237e-03 , 6.478e-01] + - [6.493e-03 , 6.249e-01] + - [6.742e-03 , 6.084e-01] + - [6.988e-03 , 5.905e-01] + - [7.241e-03 , 5.701e-01] + - [7.488e-03 , 5.527e-01] + - [7.741e-03 , 5.333e-01] + - [7.987e-03 , 5.168e-01] + - [8.240e-03 , 4.969e-01] + - [8.487e-03 , 4.814e-01] + - [8.738e-03 , 4.633e-01] + - [8.988e-03 , 4.450e-01] + - [9.238e-03 , 4.272e-01] + - [9.486e-03 , 4.102e-01] + - [9.738e-03 , 3.918e-01] + - [9.987e-03 , 3.742e-01] + - [1.024e-02 , 3.550e-01] + - [1.049e-02 , 3.365e-01] + - [1.074e-02 , 3.183e-01] + - [1.099e-02 , 3.017e-01] + - [1.124e-02 , 2.836e-01] + - [1.149e-02 , 2.653e-01] + - [1.174e-02 , 2.475e-01] + - [1.198e-02 , 2.296e-01] + - [1.223e-02 , 2.115e-01] + - [1.248e-02 , 1.935e-01] + - [1.274e-02 , 1.758e-01] + - [1.299e-02 , 1.608e-01] + - [1.324e-02 , 1.496e-01] + - [1.348e-02 , 1.398e-01] + - [1.374e-02 , 1.301e-01] + - [1.399e-02 , 1.215e-01] + - [1.424e-02 , 1.149e-01] + - [1.449e-02 , 1.115e-01] + - [1.475e-02 , 1.098e-01] + - [1.500e-02 , 1.086e-01] + - [1.552e-02 , 1.071e-01] + - [1.604e-02 , 1.062e-01] + - [1.652e-02 , 1.059e-01] + - [1.699e-02 , 1.060e-01] + - [1.750e-02 , 1.063e-01] + - [1.774e-02 , 1.067e-01] + - [1.827e-02 , 1.075e-01] + - [1.925e-02 , 1.085e-01] + - [2.097e-02 , 1.094e-01] + - [2.200e-02 , 1.102e-01] + - [2.223e-02 , 1.104e-01] + - [2.426e-02 , 1.127e-01] + - [2.530e-02 , 1.135e-01] + - [2.605e-02 , 1.138e-01] + - [2.847e-02 , 1.148e-01] + - [3.023e-02 , 1.162e-01] + - [3.146e-02 , 1.170e-01] + - [3.228e-02 , 1.173e-01] + - [3.443e-02 , 1.178e-01] + - [3.696e-02 , 1.192e-01] + - [3.859e-02 , 1.199e-01] + - [4.099e-02 , 1.204e-01] + - [4.125e-02 , 1.205e-01] + - [4.249e-02 , 1.209e-01] + - [4.275e-02 , 1.212e-01] + - [4.451e-02 , 1.220e-01] + - [4.475e-02 , 1.220e-01] + - [4.817e-02 , 1.228e-01] + - [5.024e-02 , 1.237e-01] + - [6.377e-02 , 1.275e-01] + - [8.027e-02 , 1.316e-01] + - [9.587e-02 , 1.349e-01] + - [1.108e-01 , 1.378e-01] + - [1.175e-01 , 1.389e-01] + - [1.223e-01 , 1.396e-01] + - [1.228e-01 , 1.397e-01] + - [1.391e-01 , 1.421e-01] + - [1.524e-01 , 1.437e-01] + - [1.591e-01 , 1.445e-01] + - [1.717e-01 , 1.458e-01] + - [1.977e-01 , 1.483e-01] + - [1.983e-01 , 1.486e-01] + - [1.990e-01 , 1.483e-01] + - [1.992e-01 , 1.484e-01] + - [2.119e-01 , 1.496e-01] + - [2.191e-01 , 1.503e-01] + - [2.525e-01 , 1.532e-01] + - [2.569e-01 , 1.537e-01] + - [2.753e-01 , 1.553e-01] + - [3.020e-01 , 1.576e-01] + - [3.508e-01 , 1.618e-01] + - [4.093e-01 , 1.671e-01] + - [4.247e-01 , 1.683e-01] + - [4.277e-01 , 1.686e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-20.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-20.yaml new file mode 100644 index 0000000..6bc392b --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-20.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 345 K + ignition-delay: + - 58.3 ms + pressure: + - 1169 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.726e-01] + - [1.463e-03 , 9.215e-01] + - [3.487e-03 , 8.350e-01] + - [3.744e-03 , 8.145e-01] + - [3.993e-03 , 7.935e-01] + - [4.492e-03 , 7.689e-01] + - [4.746e-03 , 7.550e-01] + - [5.484e-03 , 6.991e-01] + - [5.738e-03 , 6.846e-01] + - [6.237e-03 , 6.478e-01] + - [6.493e-03 , 6.249e-01] + - [6.742e-03 , 6.084e-01] + - [6.988e-03 , 5.905e-01] + - [7.241e-03 , 5.701e-01] + - [7.488e-03 , 5.527e-01] + - [7.741e-03 , 5.333e-01] + - [7.987e-03 , 5.168e-01] + - [8.240e-03 , 4.969e-01] + - [8.487e-03 , 4.814e-01] + - [8.738e-03 , 4.633e-01] + - [8.988e-03 , 4.450e-01] + - [9.238e-03 , 4.272e-01] + - [9.486e-03 , 4.102e-01] + - [9.738e-03 , 3.918e-01] + - [9.987e-03 , 3.742e-01] + - [1.024e-02 , 3.550e-01] + - [1.049e-02 , 3.365e-01] + - [1.074e-02 , 3.183e-01] + - [1.099e-02 , 3.017e-01] + - [1.124e-02 , 2.836e-01] + - [1.149e-02 , 2.653e-01] + - [1.174e-02 , 2.475e-01] + - [1.198e-02 , 2.296e-01] + - [1.223e-02 , 2.115e-01] + - [1.248e-02 , 1.935e-01] + - [1.274e-02 , 1.758e-01] + - [1.299e-02 , 1.608e-01] + - [1.324e-02 , 1.496e-01] + - [1.348e-02 , 1.398e-01] + - [1.374e-02 , 1.301e-01] + - [1.399e-02 , 1.215e-01] + - [1.424e-02 , 1.149e-01] + - [1.449e-02 , 1.115e-01] + - [1.475e-02 , 1.098e-01] + - [1.500e-02 , 1.086e-01] + - [1.552e-02 , 1.071e-01] + - [1.604e-02 , 1.062e-01] + - [1.652e-02 , 1.059e-01] + - [1.699e-02 , 1.060e-01] + - [1.750e-02 , 1.063e-01] + - [1.774e-02 , 1.067e-01] + - [1.827e-02 , 1.075e-01] + - [1.925e-02 , 1.085e-01] + - [2.097e-02 , 1.094e-01] + - [2.200e-02 , 1.102e-01] + - [2.223e-02 , 1.104e-01] + - [2.426e-02 , 1.127e-01] + - [2.530e-02 , 1.135e-01] + - [2.605e-02 , 1.138e-01] + - [2.847e-02 , 1.148e-01] + - [3.023e-02 , 1.162e-01] + - [3.146e-02 , 1.170e-01] + - [3.228e-02 , 1.173e-01] + - [3.443e-02 , 1.178e-01] + - [3.696e-02 , 1.192e-01] + - [3.859e-02 , 1.199e-01] + - [4.099e-02 , 1.204e-01] + - [4.125e-02 , 1.205e-01] + - [4.249e-02 , 1.209e-01] + - [4.275e-02 , 1.212e-01] + - [4.451e-02 , 1.220e-01] + - [4.475e-02 , 1.220e-01] + - [4.817e-02 , 1.228e-01] + - [5.024e-02 , 1.237e-01] + - [6.377e-02 , 1.275e-01] + - [8.027e-02 , 1.316e-01] + - [9.587e-02 , 1.349e-01] + - [1.108e-01 , 1.378e-01] + - [1.175e-01 , 1.389e-01] + - [1.223e-01 , 1.396e-01] + - [1.228e-01 , 1.397e-01] + - [1.391e-01 , 1.421e-01] + - [1.524e-01 , 1.437e-01] + - [1.591e-01 , 1.445e-01] + - [1.717e-01 , 1.458e-01] + - [1.977e-01 , 1.483e-01] + - [1.983e-01 , 1.486e-01] + - [1.990e-01 , 1.483e-01] + - [1.992e-01 , 1.484e-01] + - [2.119e-01 , 1.496e-01] + - [2.191e-01 , 1.503e-01] + - [2.525e-01 , 1.532e-01] + - [2.569e-01 , 1.537e-01] + - [2.753e-01 , 1.553e-01] + - [3.020e-01 , 1.576e-01] + - [3.508e-01 , 1.618e-01] + - [4.093e-01 , 1.671e-01] + - [4.247e-01 , 1.683e-01] + - [4.277e-01 , 1.686e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-21.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-21.yaml new file mode 100644 index 0000000..9ef82cb --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-21.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 350 K + ignition-delay: + - 47.8 ms + pressure: + - 1172 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.726e-01] + - [1.463e-03 , 9.215e-01] + - [3.487e-03 , 8.350e-01] + - [3.744e-03 , 8.145e-01] + - [3.993e-03 , 7.935e-01] + - [4.492e-03 , 7.689e-01] + - [4.746e-03 , 7.550e-01] + - [5.484e-03 , 6.991e-01] + - [5.738e-03 , 6.846e-01] + - [6.237e-03 , 6.478e-01] + - [6.493e-03 , 6.249e-01] + - [6.742e-03 , 6.084e-01] + - [6.988e-03 , 5.905e-01] + - [7.241e-03 , 5.701e-01] + - [7.488e-03 , 5.527e-01] + - [7.741e-03 , 5.333e-01] + - [7.987e-03 , 5.168e-01] + - [8.240e-03 , 4.969e-01] + - [8.487e-03 , 4.814e-01] + - [8.738e-03 , 4.633e-01] + - [8.988e-03 , 4.450e-01] + - [9.238e-03 , 4.272e-01] + - [9.486e-03 , 4.102e-01] + - [9.738e-03 , 3.918e-01] + - [9.987e-03 , 3.742e-01] + - [1.024e-02 , 3.550e-01] + - [1.049e-02 , 3.365e-01] + - [1.074e-02 , 3.183e-01] + - [1.099e-02 , 3.017e-01] + - [1.124e-02 , 2.836e-01] + - [1.149e-02 , 2.653e-01] + - [1.174e-02 , 2.475e-01] + - [1.198e-02 , 2.296e-01] + - [1.223e-02 , 2.115e-01] + - [1.248e-02 , 1.935e-01] + - [1.274e-02 , 1.758e-01] + - [1.299e-02 , 1.608e-01] + - [1.324e-02 , 1.496e-01] + - [1.348e-02 , 1.398e-01] + - [1.374e-02 , 1.301e-01] + - [1.399e-02 , 1.215e-01] + - [1.424e-02 , 1.149e-01] + - [1.449e-02 , 1.115e-01] + - [1.475e-02 , 1.098e-01] + - [1.500e-02 , 1.086e-01] + - [1.552e-02 , 1.071e-01] + - [1.604e-02 , 1.062e-01] + - [1.652e-02 , 1.059e-01] + - [1.699e-02 , 1.060e-01] + - [1.750e-02 , 1.063e-01] + - [1.774e-02 , 1.067e-01] + - [1.827e-02 , 1.075e-01] + - [1.925e-02 , 1.085e-01] + - [2.097e-02 , 1.094e-01] + - [2.200e-02 , 1.102e-01] + - [2.223e-02 , 1.104e-01] + - [2.426e-02 , 1.127e-01] + - [2.530e-02 , 1.135e-01] + - [2.605e-02 , 1.138e-01] + - [2.847e-02 , 1.148e-01] + - [3.023e-02 , 1.162e-01] + - [3.146e-02 , 1.170e-01] + - [3.228e-02 , 1.173e-01] + - [3.443e-02 , 1.178e-01] + - [3.696e-02 , 1.192e-01] + - [3.859e-02 , 1.199e-01] + - [4.099e-02 , 1.204e-01] + - [4.125e-02 , 1.205e-01] + - [4.249e-02 , 1.209e-01] + - [4.275e-02 , 1.212e-01] + - [4.451e-02 , 1.220e-01] + - [4.475e-02 , 1.220e-01] + - [4.817e-02 , 1.228e-01] + - [5.024e-02 , 1.237e-01] + - [6.377e-02 , 1.275e-01] + - [8.027e-02 , 1.316e-01] + - [9.587e-02 , 1.349e-01] + - [1.108e-01 , 1.378e-01] + - [1.175e-01 , 1.389e-01] + - [1.223e-01 , 1.396e-01] + - [1.228e-01 , 1.397e-01] + - [1.391e-01 , 1.421e-01] + - [1.524e-01 , 1.437e-01] + - [1.591e-01 , 1.445e-01] + - [1.717e-01 , 1.458e-01] + - [1.977e-01 , 1.483e-01] + - [1.983e-01 , 1.486e-01] + - [1.990e-01 , 1.483e-01] + - [1.992e-01 , 1.484e-01] + - [2.119e-01 , 1.496e-01] + - [2.191e-01 , 1.503e-01] + - [2.525e-01 , 1.532e-01] + - [2.569e-01 , 1.537e-01] + - [2.753e-01 , 1.553e-01] + - [3.020e-01 , 1.576e-01] + - [3.508e-01 , 1.618e-01] + - [4.093e-01 , 1.671e-01] + - [4.247e-01 , 1.683e-01] + - [4.277e-01 , 1.686e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-22.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-22.yaml new file mode 100644 index 0000000..5145bdd --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-22.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 350 K + ignition-delay: + - 29.4 ms + pressure: + - 1168 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.726e-01] + - [1.463e-03 , 9.215e-01] + - [3.487e-03 , 8.350e-01] + - [3.744e-03 , 8.145e-01] + - [3.993e-03 , 7.935e-01] + - [4.492e-03 , 7.689e-01] + - [4.746e-03 , 7.550e-01] + - [5.484e-03 , 6.991e-01] + - [5.738e-03 , 6.846e-01] + - [6.237e-03 , 6.478e-01] + - [6.493e-03 , 6.249e-01] + - [6.742e-03 , 6.084e-01] + - [6.988e-03 , 5.905e-01] + - [7.241e-03 , 5.701e-01] + - [7.488e-03 , 5.527e-01] + - [7.741e-03 , 5.333e-01] + - [7.987e-03 , 5.168e-01] + - [8.240e-03 , 4.969e-01] + - [8.487e-03 , 4.814e-01] + - [8.738e-03 , 4.633e-01] + - [8.988e-03 , 4.450e-01] + - [9.238e-03 , 4.272e-01] + - [9.486e-03 , 4.102e-01] + - [9.738e-03 , 3.918e-01] + - [9.987e-03 , 3.742e-01] + - [1.024e-02 , 3.550e-01] + - [1.049e-02 , 3.365e-01] + - [1.074e-02 , 3.183e-01] + - [1.099e-02 , 3.017e-01] + - [1.124e-02 , 2.836e-01] + - [1.149e-02 , 2.653e-01] + - [1.174e-02 , 2.475e-01] + - [1.198e-02 , 2.296e-01] + - [1.223e-02 , 2.115e-01] + - [1.248e-02 , 1.935e-01] + - [1.274e-02 , 1.758e-01] + - [1.299e-02 , 1.608e-01] + - [1.324e-02 , 1.496e-01] + - [1.348e-02 , 1.398e-01] + - [1.374e-02 , 1.301e-01] + - [1.399e-02 , 1.215e-01] + - [1.424e-02 , 1.149e-01] + - [1.449e-02 , 1.115e-01] + - [1.475e-02 , 1.098e-01] + - [1.500e-02 , 1.086e-01] + - [1.552e-02 , 1.071e-01] + - [1.604e-02 , 1.062e-01] + - [1.652e-02 , 1.059e-01] + - [1.699e-02 , 1.060e-01] + - [1.750e-02 , 1.063e-01] + - [1.774e-02 , 1.067e-01] + - [1.827e-02 , 1.075e-01] + - [1.925e-02 , 1.085e-01] + - [2.097e-02 , 1.094e-01] + - [2.200e-02 , 1.102e-01] + - [2.223e-02 , 1.104e-01] + - [2.426e-02 , 1.127e-01] + - [2.530e-02 , 1.135e-01] + - [2.605e-02 , 1.138e-01] + - [2.847e-02 , 1.148e-01] + - [3.023e-02 , 1.162e-01] + - [3.146e-02 , 1.170e-01] + - [3.228e-02 , 1.173e-01] + - [3.443e-02 , 1.178e-01] + - [3.696e-02 , 1.192e-01] + - [3.859e-02 , 1.199e-01] + - [4.099e-02 , 1.204e-01] + - [4.125e-02 , 1.205e-01] + - [4.249e-02 , 1.209e-01] + - [4.275e-02 , 1.212e-01] + - [4.451e-02 , 1.220e-01] + - [4.475e-02 , 1.220e-01] + - [4.817e-02 , 1.228e-01] + - [5.024e-02 , 1.237e-01] + - [6.377e-02 , 1.275e-01] + - [8.027e-02 , 1.316e-01] + - [9.587e-02 , 1.349e-01] + - [1.108e-01 , 1.378e-01] + - [1.175e-01 , 1.389e-01] + - [1.223e-01 , 1.396e-01] + - [1.228e-01 , 1.397e-01] + - [1.391e-01 , 1.421e-01] + - [1.524e-01 , 1.437e-01] + - [1.591e-01 , 1.445e-01] + - [1.717e-01 , 1.458e-01] + - [1.977e-01 , 1.483e-01] + - [1.983e-01 , 1.486e-01] + - [1.990e-01 , 1.483e-01] + - [1.992e-01 , 1.484e-01] + - [2.119e-01 , 1.496e-01] + - [2.191e-01 , 1.503e-01] + - [2.525e-01 , 1.532e-01] + - [2.569e-01 , 1.537e-01] + - [2.753e-01 , 1.553e-01] + - [3.020e-01 , 1.576e-01] + - [3.508e-01 , 1.618e-01] + - [4.093e-01 , 1.671e-01] + - [4.247e-01 , 1.683e-01] + - [4.277e-01 , 1.686e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-23.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-23.yaml new file mode 100644 index 0000000..31bd435 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-23.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 350 K + ignition-delay: + - 31.8 ms + pressure: + - 1169 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.726e-01] + - [1.463e-03 , 9.215e-01] + - [3.487e-03 , 8.350e-01] + - [3.744e-03 , 8.145e-01] + - [3.993e-03 , 7.935e-01] + - [4.492e-03 , 7.689e-01] + - [4.746e-03 , 7.550e-01] + - [5.484e-03 , 6.991e-01] + - [5.738e-03 , 6.846e-01] + - [6.237e-03 , 6.478e-01] + - [6.493e-03 , 6.249e-01] + - [6.742e-03 , 6.084e-01] + - [6.988e-03 , 5.905e-01] + - [7.241e-03 , 5.701e-01] + - [7.488e-03 , 5.527e-01] + - [7.741e-03 , 5.333e-01] + - [7.987e-03 , 5.168e-01] + - [8.240e-03 , 4.969e-01] + - [8.487e-03 , 4.814e-01] + - [8.738e-03 , 4.633e-01] + - [8.988e-03 , 4.450e-01] + - [9.238e-03 , 4.272e-01] + - [9.486e-03 , 4.102e-01] + - [9.738e-03 , 3.918e-01] + - [9.987e-03 , 3.742e-01] + - [1.024e-02 , 3.550e-01] + - [1.049e-02 , 3.365e-01] + - [1.074e-02 , 3.183e-01] + - [1.099e-02 , 3.017e-01] + - [1.124e-02 , 2.836e-01] + - [1.149e-02 , 2.653e-01] + - [1.174e-02 , 2.475e-01] + - [1.198e-02 , 2.296e-01] + - [1.223e-02 , 2.115e-01] + - [1.248e-02 , 1.935e-01] + - [1.274e-02 , 1.758e-01] + - [1.299e-02 , 1.608e-01] + - [1.324e-02 , 1.496e-01] + - [1.348e-02 , 1.398e-01] + - [1.374e-02 , 1.301e-01] + - [1.399e-02 , 1.215e-01] + - [1.424e-02 , 1.149e-01] + - [1.449e-02 , 1.115e-01] + - [1.475e-02 , 1.098e-01] + - [1.500e-02 , 1.086e-01] + - [1.552e-02 , 1.071e-01] + - [1.604e-02 , 1.062e-01] + - [1.652e-02 , 1.059e-01] + - [1.699e-02 , 1.060e-01] + - [1.750e-02 , 1.063e-01] + - [1.774e-02 , 1.067e-01] + - [1.827e-02 , 1.075e-01] + - [1.925e-02 , 1.085e-01] + - [2.097e-02 , 1.094e-01] + - [2.200e-02 , 1.102e-01] + - [2.223e-02 , 1.104e-01] + - [2.426e-02 , 1.127e-01] + - [2.530e-02 , 1.135e-01] + - [2.605e-02 , 1.138e-01] + - [2.847e-02 , 1.148e-01] + - [3.023e-02 , 1.162e-01] + - [3.146e-02 , 1.170e-01] + - [3.228e-02 , 1.173e-01] + - [3.443e-02 , 1.178e-01] + - [3.696e-02 , 1.192e-01] + - [3.859e-02 , 1.199e-01] + - [4.099e-02 , 1.204e-01] + - [4.125e-02 , 1.205e-01] + - [4.249e-02 , 1.209e-01] + - [4.275e-02 , 1.212e-01] + - [4.451e-02 , 1.220e-01] + - [4.475e-02 , 1.220e-01] + - [4.817e-02 , 1.228e-01] + - [5.024e-02 , 1.237e-01] + - [6.377e-02 , 1.275e-01] + - [8.027e-02 , 1.316e-01] + - [9.587e-02 , 1.349e-01] + - [1.108e-01 , 1.378e-01] + - [1.175e-01 , 1.389e-01] + - [1.223e-01 , 1.396e-01] + - [1.228e-01 , 1.397e-01] + - [1.391e-01 , 1.421e-01] + - [1.524e-01 , 1.437e-01] + - [1.591e-01 , 1.445e-01] + - [1.717e-01 , 1.458e-01] + - [1.977e-01 , 1.483e-01] + - [1.983e-01 , 1.486e-01] + - [1.990e-01 , 1.483e-01] + - [1.992e-01 , 1.484e-01] + - [2.119e-01 , 1.496e-01] + - [2.191e-01 , 1.503e-01] + - [2.525e-01 , 1.532e-01] + - [2.569e-01 , 1.537e-01] + - [2.753e-01 , 1.553e-01] + - [3.020e-01 , 1.576e-01] + - [3.508e-01 , 1.618e-01] + - [4.093e-01 , 1.671e-01] + - [4.247e-01 , 1.683e-01] + - [4.277e-01 , 1.686e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-24.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-24.yaml new file mode 100644 index 0000000..ff8331f --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-24.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 355 K + ignition-delay: + - 23.2 ms + pressure: + - 1168 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.726e-01] + - [1.463e-03 , 9.215e-01] + - [3.487e-03 , 8.350e-01] + - [3.744e-03 , 8.145e-01] + - [3.993e-03 , 7.935e-01] + - [4.492e-03 , 7.689e-01] + - [4.746e-03 , 7.550e-01] + - [5.484e-03 , 6.991e-01] + - [5.738e-03 , 6.846e-01] + - [6.237e-03 , 6.478e-01] + - [6.493e-03 , 6.249e-01] + - [6.742e-03 , 6.084e-01] + - [6.988e-03 , 5.905e-01] + - [7.241e-03 , 5.701e-01] + - [7.488e-03 , 5.527e-01] + - [7.741e-03 , 5.333e-01] + - [7.987e-03 , 5.168e-01] + - [8.240e-03 , 4.969e-01] + - [8.487e-03 , 4.814e-01] + - [8.738e-03 , 4.633e-01] + - [8.988e-03 , 4.450e-01] + - [9.238e-03 , 4.272e-01] + - [9.486e-03 , 4.102e-01] + - [9.738e-03 , 3.918e-01] + - [9.987e-03 , 3.742e-01] + - [1.024e-02 , 3.550e-01] + - [1.049e-02 , 3.365e-01] + - [1.074e-02 , 3.183e-01] + - [1.099e-02 , 3.017e-01] + - [1.124e-02 , 2.836e-01] + - [1.149e-02 , 2.653e-01] + - [1.174e-02 , 2.475e-01] + - [1.198e-02 , 2.296e-01] + - [1.223e-02 , 2.115e-01] + - [1.248e-02 , 1.935e-01] + - [1.274e-02 , 1.758e-01] + - [1.299e-02 , 1.608e-01] + - [1.324e-02 , 1.496e-01] + - [1.348e-02 , 1.398e-01] + - [1.374e-02 , 1.301e-01] + - [1.399e-02 , 1.215e-01] + - [1.424e-02 , 1.149e-01] + - [1.449e-02 , 1.115e-01] + - [1.475e-02 , 1.098e-01] + - [1.500e-02 , 1.086e-01] + - [1.552e-02 , 1.071e-01] + - [1.604e-02 , 1.062e-01] + - [1.652e-02 , 1.059e-01] + - [1.699e-02 , 1.060e-01] + - [1.750e-02 , 1.063e-01] + - [1.774e-02 , 1.067e-01] + - [1.827e-02 , 1.075e-01] + - [1.925e-02 , 1.085e-01] + - [2.097e-02 , 1.094e-01] + - [2.200e-02 , 1.102e-01] + - [2.223e-02 , 1.104e-01] + - [2.426e-02 , 1.127e-01] + - [2.530e-02 , 1.135e-01] + - [2.605e-02 , 1.138e-01] + - [2.847e-02 , 1.148e-01] + - [3.023e-02 , 1.162e-01] + - [3.146e-02 , 1.170e-01] + - [3.228e-02 , 1.173e-01] + - [3.443e-02 , 1.178e-01] + - [3.696e-02 , 1.192e-01] + - [3.859e-02 , 1.199e-01] + - [4.099e-02 , 1.204e-01] + - [4.125e-02 , 1.205e-01] + - [4.249e-02 , 1.209e-01] + - [4.275e-02 , 1.212e-01] + - [4.451e-02 , 1.220e-01] + - [4.475e-02 , 1.220e-01] + - [4.817e-02 , 1.228e-01] + - [5.024e-02 , 1.237e-01] + - [6.377e-02 , 1.275e-01] + - [8.027e-02 , 1.316e-01] + - [9.587e-02 , 1.349e-01] + - [1.108e-01 , 1.378e-01] + - [1.175e-01 , 1.389e-01] + - [1.223e-01 , 1.396e-01] + - [1.228e-01 , 1.397e-01] + - [1.391e-01 , 1.421e-01] + - [1.524e-01 , 1.437e-01] + - [1.591e-01 , 1.445e-01] + - [1.717e-01 , 1.458e-01] + - [1.977e-01 , 1.483e-01] + - [1.983e-01 , 1.486e-01] + - [1.990e-01 , 1.483e-01] + - [1.992e-01 , 1.484e-01] + - [2.119e-01 , 1.496e-01] + - [2.191e-01 , 1.503e-01] + - [2.525e-01 , 1.532e-01] + - [2.569e-01 , 1.537e-01] + - [2.753e-01 , 1.553e-01] + - [3.020e-01 , 1.576e-01] + - [3.508e-01 , 1.618e-01] + - [4.093e-01 , 1.671e-01] + - [4.247e-01 , 1.683e-01] + - [4.277e-01 , 1.686e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-25.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-25.yaml new file mode 100644 index 0000000..e270037 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-25.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 355 K + ignition-delay: + - 19.9 ms + pressure: + - 1168 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.726e-01] + - [1.463e-03 , 9.215e-01] + - [3.487e-03 , 8.350e-01] + - [3.744e-03 , 8.145e-01] + - [3.993e-03 , 7.935e-01] + - [4.492e-03 , 7.689e-01] + - [4.746e-03 , 7.550e-01] + - [5.484e-03 , 6.991e-01] + - [5.738e-03 , 6.846e-01] + - [6.237e-03 , 6.478e-01] + - [6.493e-03 , 6.249e-01] + - [6.742e-03 , 6.084e-01] + - [6.988e-03 , 5.905e-01] + - [7.241e-03 , 5.701e-01] + - [7.488e-03 , 5.527e-01] + - [7.741e-03 , 5.333e-01] + - [7.987e-03 , 5.168e-01] + - [8.240e-03 , 4.969e-01] + - [8.487e-03 , 4.814e-01] + - [8.738e-03 , 4.633e-01] + - [8.988e-03 , 4.450e-01] + - [9.238e-03 , 4.272e-01] + - [9.486e-03 , 4.102e-01] + - [9.738e-03 , 3.918e-01] + - [9.987e-03 , 3.742e-01] + - [1.024e-02 , 3.550e-01] + - [1.049e-02 , 3.365e-01] + - [1.074e-02 , 3.183e-01] + - [1.099e-02 , 3.017e-01] + - [1.124e-02 , 2.836e-01] + - [1.149e-02 , 2.653e-01] + - [1.174e-02 , 2.475e-01] + - [1.198e-02 , 2.296e-01] + - [1.223e-02 , 2.115e-01] + - [1.248e-02 , 1.935e-01] + - [1.274e-02 , 1.758e-01] + - [1.299e-02 , 1.608e-01] + - [1.324e-02 , 1.496e-01] + - [1.348e-02 , 1.398e-01] + - [1.374e-02 , 1.301e-01] + - [1.399e-02 , 1.215e-01] + - [1.424e-02 , 1.149e-01] + - [1.449e-02 , 1.115e-01] + - [1.475e-02 , 1.098e-01] + - [1.500e-02 , 1.086e-01] + - [1.552e-02 , 1.071e-01] + - [1.604e-02 , 1.062e-01] + - [1.652e-02 , 1.059e-01] + - [1.699e-02 , 1.060e-01] + - [1.750e-02 , 1.063e-01] + - [1.774e-02 , 1.067e-01] + - [1.827e-02 , 1.075e-01] + - [1.925e-02 , 1.085e-01] + - [2.097e-02 , 1.094e-01] + - [2.200e-02 , 1.102e-01] + - [2.223e-02 , 1.104e-01] + - [2.426e-02 , 1.127e-01] + - [2.530e-02 , 1.135e-01] + - [2.605e-02 , 1.138e-01] + - [2.847e-02 , 1.148e-01] + - [3.023e-02 , 1.162e-01] + - [3.146e-02 , 1.170e-01] + - [3.228e-02 , 1.173e-01] + - [3.443e-02 , 1.178e-01] + - [3.696e-02 , 1.192e-01] + - [3.859e-02 , 1.199e-01] + - [4.099e-02 , 1.204e-01] + - [4.125e-02 , 1.205e-01] + - [4.249e-02 , 1.209e-01] + - [4.275e-02 , 1.212e-01] + - [4.451e-02 , 1.220e-01] + - [4.475e-02 , 1.220e-01] + - [4.817e-02 , 1.228e-01] + - [5.024e-02 , 1.237e-01] + - [6.377e-02 , 1.275e-01] + - [8.027e-02 , 1.316e-01] + - [9.587e-02 , 1.349e-01] + - [1.108e-01 , 1.378e-01] + - [1.175e-01 , 1.389e-01] + - [1.223e-01 , 1.396e-01] + - [1.228e-01 , 1.397e-01] + - [1.391e-01 , 1.421e-01] + - [1.524e-01 , 1.437e-01] + - [1.591e-01 , 1.445e-01] + - [1.717e-01 , 1.458e-01] + - [1.977e-01 , 1.483e-01] + - [1.983e-01 , 1.486e-01] + - [1.990e-01 , 1.483e-01] + - [1.992e-01 , 1.484e-01] + - [2.119e-01 , 1.496e-01] + - [2.191e-01 , 1.503e-01] + - [2.525e-01 , 1.532e-01] + - [2.569e-01 , 1.537e-01] + - [2.753e-01 , 1.553e-01] + - [3.020e-01 , 1.576e-01] + - [3.508e-01 , 1.618e-01] + - [4.093e-01 , 1.671e-01] + - [4.247e-01 , 1.683e-01] + - [4.277e-01 , 1.686e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-26.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-26.yaml new file mode 100644 index 0000000..cc5342f --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-26.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 355 K + ignition-delay: + - 19.9 ms + pressure: + - 1169 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.726e-01] + - [1.463e-03 , 9.215e-01] + - [3.487e-03 , 8.350e-01] + - [3.744e-03 , 8.145e-01] + - [3.993e-03 , 7.935e-01] + - [4.492e-03 , 7.689e-01] + - [4.746e-03 , 7.550e-01] + - [5.484e-03 , 6.991e-01] + - [5.738e-03 , 6.846e-01] + - [6.237e-03 , 6.478e-01] + - [6.493e-03 , 6.249e-01] + - [6.742e-03 , 6.084e-01] + - [6.988e-03 , 5.905e-01] + - [7.241e-03 , 5.701e-01] + - [7.488e-03 , 5.527e-01] + - [7.741e-03 , 5.333e-01] + - [7.987e-03 , 5.168e-01] + - [8.240e-03 , 4.969e-01] + - [8.487e-03 , 4.814e-01] + - [8.738e-03 , 4.633e-01] + - [8.988e-03 , 4.450e-01] + - [9.238e-03 , 4.272e-01] + - [9.486e-03 , 4.102e-01] + - [9.738e-03 , 3.918e-01] + - [9.987e-03 , 3.742e-01] + - [1.024e-02 , 3.550e-01] + - [1.049e-02 , 3.365e-01] + - [1.074e-02 , 3.183e-01] + - [1.099e-02 , 3.017e-01] + - [1.124e-02 , 2.836e-01] + - [1.149e-02 , 2.653e-01] + - [1.174e-02 , 2.475e-01] + - [1.198e-02 , 2.296e-01] + - [1.223e-02 , 2.115e-01] + - [1.248e-02 , 1.935e-01] + - [1.274e-02 , 1.758e-01] + - [1.299e-02 , 1.608e-01] + - [1.324e-02 , 1.496e-01] + - [1.348e-02 , 1.398e-01] + - [1.374e-02 , 1.301e-01] + - [1.399e-02 , 1.215e-01] + - [1.424e-02 , 1.149e-01] + - [1.449e-02 , 1.115e-01] + - [1.475e-02 , 1.098e-01] + - [1.500e-02 , 1.086e-01] + - [1.552e-02 , 1.071e-01] + - [1.604e-02 , 1.062e-01] + - [1.652e-02 , 1.059e-01] + - [1.699e-02 , 1.060e-01] + - [1.750e-02 , 1.063e-01] + - [1.774e-02 , 1.067e-01] + - [1.827e-02 , 1.075e-01] + - [1.925e-02 , 1.085e-01] + - [2.097e-02 , 1.094e-01] + - [2.200e-02 , 1.102e-01] + - [2.223e-02 , 1.104e-01] + - [2.426e-02 , 1.127e-01] + - [2.530e-02 , 1.135e-01] + - [2.605e-02 , 1.138e-01] + - [2.847e-02 , 1.148e-01] + - [3.023e-02 , 1.162e-01] + - [3.146e-02 , 1.170e-01] + - [3.228e-02 , 1.173e-01] + - [3.443e-02 , 1.178e-01] + - [3.696e-02 , 1.192e-01] + - [3.859e-02 , 1.199e-01] + - [4.099e-02 , 1.204e-01] + - [4.125e-02 , 1.205e-01] + - [4.249e-02 , 1.209e-01] + - [4.275e-02 , 1.212e-01] + - [4.451e-02 , 1.220e-01] + - [4.475e-02 , 1.220e-01] + - [4.817e-02 , 1.228e-01] + - [5.024e-02 , 1.237e-01] + - [6.377e-02 , 1.275e-01] + - [8.027e-02 , 1.316e-01] + - [9.587e-02 , 1.349e-01] + - [1.108e-01 , 1.378e-01] + - [1.175e-01 , 1.389e-01] + - [1.223e-01 , 1.396e-01] + - [1.228e-01 , 1.397e-01] + - [1.391e-01 , 1.421e-01] + - [1.524e-01 , 1.437e-01] + - [1.591e-01 , 1.445e-01] + - [1.717e-01 , 1.458e-01] + - [1.977e-01 , 1.483e-01] + - [1.983e-01 , 1.486e-01] + - [1.990e-01 , 1.483e-01] + - [1.992e-01 , 1.484e-01] + - [2.119e-01 , 1.496e-01] + - [2.191e-01 , 1.503e-01] + - [2.525e-01 , 1.532e-01] + - [2.569e-01 , 1.537e-01] + - [2.753e-01 , 1.553e-01] + - [3.020e-01 , 1.576e-01] + - [3.508e-01 , 1.618e-01] + - [4.093e-01 , 1.671e-01] + - [4.247e-01 , 1.683e-01] + - [4.277e-01 , 1.686e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-27.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-27.yaml new file mode 100644 index 0000000..2ff2d22 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-27.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 360 K + ignition-delay: + - 14.7 ms + pressure: + - 1056 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.726e-01] + - [1.463e-03 , 9.215e-01] + - [3.487e-03 , 8.350e-01] + - [3.744e-03 , 8.145e-01] + - [3.993e-03 , 7.935e-01] + - [4.492e-03 , 7.689e-01] + - [4.746e-03 , 7.550e-01] + - [5.484e-03 , 6.991e-01] + - [5.738e-03 , 6.846e-01] + - [6.237e-03 , 6.478e-01] + - [6.493e-03 , 6.249e-01] + - [6.742e-03 , 6.084e-01] + - [6.988e-03 , 5.905e-01] + - [7.241e-03 , 5.701e-01] + - [7.488e-03 , 5.527e-01] + - [7.741e-03 , 5.333e-01] + - [7.987e-03 , 5.168e-01] + - [8.240e-03 , 4.969e-01] + - [8.487e-03 , 4.814e-01] + - [8.738e-03 , 4.633e-01] + - [8.988e-03 , 4.450e-01] + - [9.238e-03 , 4.272e-01] + - [9.486e-03 , 4.102e-01] + - [9.738e-03 , 3.918e-01] + - [9.987e-03 , 3.742e-01] + - [1.024e-02 , 3.550e-01] + - [1.049e-02 , 3.365e-01] + - [1.074e-02 , 3.183e-01] + - [1.099e-02 , 3.017e-01] + - [1.124e-02 , 2.836e-01] + - [1.149e-02 , 2.653e-01] + - [1.174e-02 , 2.475e-01] + - [1.198e-02 , 2.296e-01] + - [1.223e-02 , 2.115e-01] + - [1.248e-02 , 1.935e-01] + - [1.274e-02 , 1.758e-01] + - [1.299e-02 , 1.608e-01] + - [1.324e-02 , 1.496e-01] + - [1.348e-02 , 1.398e-01] + - [1.374e-02 , 1.301e-01] + - [1.399e-02 , 1.215e-01] + - [1.424e-02 , 1.149e-01] + - [1.449e-02 , 1.115e-01] + - [1.475e-02 , 1.098e-01] + - [1.500e-02 , 1.086e-01] + - [1.552e-02 , 1.071e-01] + - [1.604e-02 , 1.062e-01] + - [1.652e-02 , 1.059e-01] + - [1.699e-02 , 1.060e-01] + - [1.750e-02 , 1.063e-01] + - [1.774e-02 , 1.067e-01] + - [1.827e-02 , 1.075e-01] + - [1.925e-02 , 1.085e-01] + - [2.097e-02 , 1.094e-01] + - [2.200e-02 , 1.102e-01] + - [2.223e-02 , 1.104e-01] + - [2.426e-02 , 1.127e-01] + - [2.530e-02 , 1.135e-01] + - [2.605e-02 , 1.138e-01] + - [2.847e-02 , 1.148e-01] + - [3.023e-02 , 1.162e-01] + - [3.146e-02 , 1.170e-01] + - [3.228e-02 , 1.173e-01] + - [3.443e-02 , 1.178e-01] + - [3.696e-02 , 1.192e-01] + - [3.859e-02 , 1.199e-01] + - [4.099e-02 , 1.204e-01] + - [4.125e-02 , 1.205e-01] + - [4.249e-02 , 1.209e-01] + - [4.275e-02 , 1.212e-01] + - [4.451e-02 , 1.220e-01] + - [4.475e-02 , 1.220e-01] + - [4.817e-02 , 1.228e-01] + - [5.024e-02 , 1.237e-01] + - [6.377e-02 , 1.275e-01] + - [8.027e-02 , 1.316e-01] + - [9.587e-02 , 1.349e-01] + - [1.108e-01 , 1.378e-01] + - [1.175e-01 , 1.389e-01] + - [1.223e-01 , 1.396e-01] + - [1.228e-01 , 1.397e-01] + - [1.391e-01 , 1.421e-01] + - [1.524e-01 , 1.437e-01] + - [1.591e-01 , 1.445e-01] + - [1.717e-01 , 1.458e-01] + - [1.977e-01 , 1.483e-01] + - [1.983e-01 , 1.486e-01] + - [1.990e-01 , 1.483e-01] + - [1.992e-01 , 1.484e-01] + - [2.119e-01 , 1.496e-01] + - [2.191e-01 , 1.503e-01] + - [2.525e-01 , 1.532e-01] + - [2.569e-01 , 1.537e-01] + - [2.753e-01 , 1.553e-01] + - [3.020e-01 , 1.576e-01] + - [3.508e-01 , 1.618e-01] + - [4.093e-01 , 1.671e-01] + - [4.247e-01 , 1.683e-01] + - [4.277e-01 , 1.686e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-3.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-3.yaml new file mode 100644 index 0000000..580d673 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-3.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 350 K + ignition-delay: + - 28.5 ms + pressure: + - 1156 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.726e-01] + - [1.463e-03 , 9.215e-01] + - [3.487e-03 , 8.350e-01] + - [3.744e-03 , 8.145e-01] + - [3.993e-03 , 7.935e-01] + - [4.492e-03 , 7.689e-01] + - [4.746e-03 , 7.550e-01] + - [5.484e-03 , 6.991e-01] + - [5.738e-03 , 6.846e-01] + - [6.237e-03 , 6.478e-01] + - [6.493e-03 , 6.249e-01] + - [6.742e-03 , 6.084e-01] + - [6.988e-03 , 5.905e-01] + - [7.241e-03 , 5.701e-01] + - [7.488e-03 , 5.527e-01] + - [7.741e-03 , 5.333e-01] + - [7.987e-03 , 5.168e-01] + - [8.240e-03 , 4.969e-01] + - [8.487e-03 , 4.814e-01] + - [8.738e-03 , 4.633e-01] + - [8.988e-03 , 4.450e-01] + - [9.238e-03 , 4.272e-01] + - [9.486e-03 , 4.102e-01] + - [9.738e-03 , 3.918e-01] + - [9.987e-03 , 3.742e-01] + - [1.024e-02 , 3.550e-01] + - [1.049e-02 , 3.365e-01] + - [1.074e-02 , 3.183e-01] + - [1.099e-02 , 3.017e-01] + - [1.124e-02 , 2.836e-01] + - [1.149e-02 , 2.653e-01] + - [1.174e-02 , 2.475e-01] + - [1.198e-02 , 2.296e-01] + - [1.223e-02 , 2.115e-01] + - [1.248e-02 , 1.935e-01] + - [1.274e-02 , 1.758e-01] + - [1.299e-02 , 1.608e-01] + - [1.324e-02 , 1.496e-01] + - [1.348e-02 , 1.398e-01] + - [1.374e-02 , 1.301e-01] + - [1.399e-02 , 1.215e-01] + - [1.424e-02 , 1.149e-01] + - [1.449e-02 , 1.115e-01] + - [1.475e-02 , 1.098e-01] + - [1.500e-02 , 1.086e-01] + - [1.552e-02 , 1.071e-01] + - [1.604e-02 , 1.062e-01] + - [1.652e-02 , 1.059e-01] + - [1.699e-02 , 1.060e-01] + - [1.750e-02 , 1.063e-01] + - [1.774e-02 , 1.067e-01] + - [1.827e-02 , 1.075e-01] + - [1.925e-02 , 1.085e-01] + - [2.097e-02 , 1.094e-01] + - [2.200e-02 , 1.102e-01] + - [2.223e-02 , 1.104e-01] + - [2.426e-02 , 1.127e-01] + - [2.530e-02 , 1.135e-01] + - [2.605e-02 , 1.138e-01] + - [2.847e-02 , 1.148e-01] + - [3.023e-02 , 1.162e-01] + - [3.146e-02 , 1.170e-01] + - [3.228e-02 , 1.173e-01] + - [3.443e-02 , 1.178e-01] + - [3.696e-02 , 1.192e-01] + - [3.859e-02 , 1.199e-01] + - [4.099e-02 , 1.204e-01] + - [4.125e-02 , 1.205e-01] + - [4.249e-02 , 1.209e-01] + - [4.275e-02 , 1.212e-01] + - [4.451e-02 , 1.220e-01] + - [4.475e-02 , 1.220e-01] + - [4.817e-02 , 1.228e-01] + - [5.024e-02 , 1.237e-01] + - [6.377e-02 , 1.275e-01] + - [8.027e-02 , 1.316e-01] + - [9.587e-02 , 1.349e-01] + - [1.108e-01 , 1.378e-01] + - [1.175e-01 , 1.389e-01] + - [1.223e-01 , 1.396e-01] + - [1.228e-01 , 1.397e-01] + - [1.391e-01 , 1.421e-01] + - [1.524e-01 , 1.437e-01] + - [1.591e-01 , 1.445e-01] + - [1.717e-01 , 1.458e-01] + - [1.977e-01 , 1.483e-01] + - [1.983e-01 , 1.486e-01] + - [1.990e-01 , 1.483e-01] + - [1.992e-01 , 1.484e-01] + - [2.119e-01 , 1.496e-01] + - [2.191e-01 , 1.503e-01] + - [2.525e-01 , 1.532e-01] + - [2.569e-01 , 1.537e-01] + - [2.753e-01 , 1.553e-01] + - [3.020e-01 , 1.576e-01] + - [3.508e-01 , 1.618e-01] + - [4.093e-01 , 1.671e-01] + - [4.247e-01 , 1.683e-01] + - [4.277e-01 , 1.686e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-4.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-4.yaml new file mode 100644 index 0000000..d802758 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-4.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 355 K + ignition-delay: + - 24.2 ms + pressure: + - 1089 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.726e-01] + - [1.463e-03 , 9.215e-01] + - [3.487e-03 , 8.350e-01] + - [3.744e-03 , 8.145e-01] + - [3.993e-03 , 7.935e-01] + - [4.492e-03 , 7.689e-01] + - [4.746e-03 , 7.550e-01] + - [5.484e-03 , 6.991e-01] + - [5.738e-03 , 6.846e-01] + - [6.237e-03 , 6.478e-01] + - [6.493e-03 , 6.249e-01] + - [6.742e-03 , 6.084e-01] + - [6.988e-03 , 5.905e-01] + - [7.241e-03 , 5.701e-01] + - [7.488e-03 , 5.527e-01] + - [7.741e-03 , 5.333e-01] + - [7.987e-03 , 5.168e-01] + - [8.240e-03 , 4.969e-01] + - [8.487e-03 , 4.814e-01] + - [8.738e-03 , 4.633e-01] + - [8.988e-03 , 4.450e-01] + - [9.238e-03 , 4.272e-01] + - [9.486e-03 , 4.102e-01] + - [9.738e-03 , 3.918e-01] + - [9.987e-03 , 3.742e-01] + - [1.024e-02 , 3.550e-01] + - [1.049e-02 , 3.365e-01] + - [1.074e-02 , 3.183e-01] + - [1.099e-02 , 3.017e-01] + - [1.124e-02 , 2.836e-01] + - [1.149e-02 , 2.653e-01] + - [1.174e-02 , 2.475e-01] + - [1.198e-02 , 2.296e-01] + - [1.223e-02 , 2.115e-01] + - [1.248e-02 , 1.935e-01] + - [1.274e-02 , 1.758e-01] + - [1.299e-02 , 1.608e-01] + - [1.324e-02 , 1.496e-01] + - [1.348e-02 , 1.398e-01] + - [1.374e-02 , 1.301e-01] + - [1.399e-02 , 1.215e-01] + - [1.424e-02 , 1.149e-01] + - [1.449e-02 , 1.115e-01] + - [1.475e-02 , 1.098e-01] + - [1.500e-02 , 1.086e-01] + - [1.552e-02 , 1.071e-01] + - [1.604e-02 , 1.062e-01] + - [1.652e-02 , 1.059e-01] + - [1.699e-02 , 1.060e-01] + - [1.750e-02 , 1.063e-01] + - [1.774e-02 , 1.067e-01] + - [1.827e-02 , 1.075e-01] + - [1.925e-02 , 1.085e-01] + - [2.097e-02 , 1.094e-01] + - [2.200e-02 , 1.102e-01] + - [2.223e-02 , 1.104e-01] + - [2.426e-02 , 1.127e-01] + - [2.530e-02 , 1.135e-01] + - [2.605e-02 , 1.138e-01] + - [2.847e-02 , 1.148e-01] + - [3.023e-02 , 1.162e-01] + - [3.146e-02 , 1.170e-01] + - [3.228e-02 , 1.173e-01] + - [3.443e-02 , 1.178e-01] + - [3.696e-02 , 1.192e-01] + - [3.859e-02 , 1.199e-01] + - [4.099e-02 , 1.204e-01] + - [4.125e-02 , 1.205e-01] + - [4.249e-02 , 1.209e-01] + - [4.275e-02 , 1.212e-01] + - [4.451e-02 , 1.220e-01] + - [4.475e-02 , 1.220e-01] + - [4.817e-02 , 1.228e-01] + - [5.024e-02 , 1.237e-01] + - [6.377e-02 , 1.275e-01] + - [8.027e-02 , 1.316e-01] + - [9.587e-02 , 1.349e-01] + - [1.108e-01 , 1.378e-01] + - [1.175e-01 , 1.389e-01] + - [1.223e-01 , 1.396e-01] + - [1.228e-01 , 1.397e-01] + - [1.391e-01 , 1.421e-01] + - [1.524e-01 , 1.437e-01] + - [1.591e-01 , 1.445e-01] + - [1.717e-01 , 1.458e-01] + - [1.977e-01 , 1.483e-01] + - [1.983e-01 , 1.486e-01] + - [1.990e-01 , 1.483e-01] + - [1.992e-01 , 1.484e-01] + - [2.119e-01 , 1.496e-01] + - [2.191e-01 , 1.503e-01] + - [2.525e-01 , 1.532e-01] + - [2.569e-01 , 1.537e-01] + - [2.753e-01 , 1.553e-01] + - [3.020e-01 , 1.576e-01] + - [3.508e-01 , 1.618e-01] + - [4.093e-01 , 1.671e-01] + - [4.247e-01 , 1.683e-01] + - [4.277e-01 , 1.686e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-5.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-5.yaml new file mode 100644 index 0000000..98e50cc --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-5.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 355 K + ignition-delay: + - 24.21 ms + pressure: + - 1044 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.726e-01] + - [1.463e-03 , 9.215e-01] + - [3.487e-03 , 8.350e-01] + - [3.744e-03 , 8.145e-01] + - [3.993e-03 , 7.935e-01] + - [4.492e-03 , 7.689e-01] + - [4.746e-03 , 7.550e-01] + - [5.484e-03 , 6.991e-01] + - [5.738e-03 , 6.846e-01] + - [6.237e-03 , 6.478e-01] + - [6.493e-03 , 6.249e-01] + - [6.742e-03 , 6.084e-01] + - [6.988e-03 , 5.905e-01] + - [7.241e-03 , 5.701e-01] + - [7.488e-03 , 5.527e-01] + - [7.741e-03 , 5.333e-01] + - [7.987e-03 , 5.168e-01] + - [8.240e-03 , 4.969e-01] + - [8.487e-03 , 4.814e-01] + - [8.738e-03 , 4.633e-01] + - [8.988e-03 , 4.450e-01] + - [9.238e-03 , 4.272e-01] + - [9.486e-03 , 4.102e-01] + - [9.738e-03 , 3.918e-01] + - [9.987e-03 , 3.742e-01] + - [1.024e-02 , 3.550e-01] + - [1.049e-02 , 3.365e-01] + - [1.074e-02 , 3.183e-01] + - [1.099e-02 , 3.017e-01] + - [1.124e-02 , 2.836e-01] + - [1.149e-02 , 2.653e-01] + - [1.174e-02 , 2.475e-01] + - [1.198e-02 , 2.296e-01] + - [1.223e-02 , 2.115e-01] + - [1.248e-02 , 1.935e-01] + - [1.274e-02 , 1.758e-01] + - [1.299e-02 , 1.608e-01] + - [1.324e-02 , 1.496e-01] + - [1.348e-02 , 1.398e-01] + - [1.374e-02 , 1.301e-01] + - [1.399e-02 , 1.215e-01] + - [1.424e-02 , 1.149e-01] + - [1.449e-02 , 1.115e-01] + - [1.475e-02 , 1.098e-01] + - [1.500e-02 , 1.086e-01] + - [1.552e-02 , 1.071e-01] + - [1.604e-02 , 1.062e-01] + - [1.652e-02 , 1.059e-01] + - [1.699e-02 , 1.060e-01] + - [1.750e-02 , 1.063e-01] + - [1.774e-02 , 1.067e-01] + - [1.827e-02 , 1.075e-01] + - [1.925e-02 , 1.085e-01] + - [2.097e-02 , 1.094e-01] + - [2.200e-02 , 1.102e-01] + - [2.223e-02 , 1.104e-01] + - [2.426e-02 , 1.127e-01] + - [2.530e-02 , 1.135e-01] + - [2.605e-02 , 1.138e-01] + - [2.847e-02 , 1.148e-01] + - [3.023e-02 , 1.162e-01] + - [3.146e-02 , 1.170e-01] + - [3.228e-02 , 1.173e-01] + - [3.443e-02 , 1.178e-01] + - [3.696e-02 , 1.192e-01] + - [3.859e-02 , 1.199e-01] + - [4.099e-02 , 1.204e-01] + - [4.125e-02 , 1.205e-01] + - [4.249e-02 , 1.209e-01] + - [4.275e-02 , 1.212e-01] + - [4.451e-02 , 1.220e-01] + - [4.475e-02 , 1.220e-01] + - [4.817e-02 , 1.228e-01] + - [5.024e-02 , 1.237e-01] + - [6.377e-02 , 1.275e-01] + - [8.027e-02 , 1.316e-01] + - [9.587e-02 , 1.349e-01] + - [1.108e-01 , 1.378e-01] + - [1.175e-01 , 1.389e-01] + - [1.223e-01 , 1.396e-01] + - [1.228e-01 , 1.397e-01] + - [1.391e-01 , 1.421e-01] + - [1.524e-01 , 1.437e-01] + - [1.591e-01 , 1.445e-01] + - [1.717e-01 , 1.458e-01] + - [1.977e-01 , 1.483e-01] + - [1.983e-01 , 1.486e-01] + - [1.990e-01 , 1.483e-01] + - [1.992e-01 , 1.484e-01] + - [2.119e-01 , 1.496e-01] + - [2.191e-01 , 1.503e-01] + - [2.525e-01 , 1.532e-01] + - [2.569e-01 , 1.537e-01] + - [2.753e-01 , 1.553e-01] + - [3.020e-01 , 1.576e-01] + - [3.508e-01 , 1.618e-01] + - [4.093e-01 , 1.671e-01] + - [4.247e-01 , 1.683e-01] + - [4.277e-01 , 1.686e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-6.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-6.yaml new file mode 100644 index 0000000..c4ba38f --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-6.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 355 K + ignition-delay: + - 15.6 ms + pressure: + - 1153 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.726e-01] + - [1.463e-03 , 9.215e-01] + - [3.487e-03 , 8.350e-01] + - [3.744e-03 , 8.145e-01] + - [3.993e-03 , 7.935e-01] + - [4.492e-03 , 7.689e-01] + - [4.746e-03 , 7.550e-01] + - [5.484e-03 , 6.991e-01] + - [5.738e-03 , 6.846e-01] + - [6.237e-03 , 6.478e-01] + - [6.493e-03 , 6.249e-01] + - [6.742e-03 , 6.084e-01] + - [6.988e-03 , 5.905e-01] + - [7.241e-03 , 5.701e-01] + - [7.488e-03 , 5.527e-01] + - [7.741e-03 , 5.333e-01] + - [7.987e-03 , 5.168e-01] + - [8.240e-03 , 4.969e-01] + - [8.487e-03 , 4.814e-01] + - [8.738e-03 , 4.633e-01] + - [8.988e-03 , 4.450e-01] + - [9.238e-03 , 4.272e-01] + - [9.486e-03 , 4.102e-01] + - [9.738e-03 , 3.918e-01] + - [9.987e-03 , 3.742e-01] + - [1.024e-02 , 3.550e-01] + - [1.049e-02 , 3.365e-01] + - [1.074e-02 , 3.183e-01] + - [1.099e-02 , 3.017e-01] + - [1.124e-02 , 2.836e-01] + - [1.149e-02 , 2.653e-01] + - [1.174e-02 , 2.475e-01] + - [1.198e-02 , 2.296e-01] + - [1.223e-02 , 2.115e-01] + - [1.248e-02 , 1.935e-01] + - [1.274e-02 , 1.758e-01] + - [1.299e-02 , 1.608e-01] + - [1.324e-02 , 1.496e-01] + - [1.348e-02 , 1.398e-01] + - [1.374e-02 , 1.301e-01] + - [1.399e-02 , 1.215e-01] + - [1.424e-02 , 1.149e-01] + - [1.449e-02 , 1.115e-01] + - [1.475e-02 , 1.098e-01] + - [1.500e-02 , 1.086e-01] + - [1.552e-02 , 1.071e-01] + - [1.604e-02 , 1.062e-01] + - [1.652e-02 , 1.059e-01] + - [1.699e-02 , 1.060e-01] + - [1.750e-02 , 1.063e-01] + - [1.774e-02 , 1.067e-01] + - [1.827e-02 , 1.075e-01] + - [1.925e-02 , 1.085e-01] + - [2.097e-02 , 1.094e-01] + - [2.200e-02 , 1.102e-01] + - [2.223e-02 , 1.104e-01] + - [2.426e-02 , 1.127e-01] + - [2.530e-02 , 1.135e-01] + - [2.605e-02 , 1.138e-01] + - [2.847e-02 , 1.148e-01] + - [3.023e-02 , 1.162e-01] + - [3.146e-02 , 1.170e-01] + - [3.228e-02 , 1.173e-01] + - [3.443e-02 , 1.178e-01] + - [3.696e-02 , 1.192e-01] + - [3.859e-02 , 1.199e-01] + - [4.099e-02 , 1.204e-01] + - [4.125e-02 , 1.205e-01] + - [4.249e-02 , 1.209e-01] + - [4.275e-02 , 1.212e-01] + - [4.451e-02 , 1.220e-01] + - [4.475e-02 , 1.220e-01] + - [4.817e-02 , 1.228e-01] + - [5.024e-02 , 1.237e-01] + - [6.377e-02 , 1.275e-01] + - [8.027e-02 , 1.316e-01] + - [9.587e-02 , 1.349e-01] + - [1.108e-01 , 1.378e-01] + - [1.175e-01 , 1.389e-01] + - [1.223e-01 , 1.396e-01] + - [1.228e-01 , 1.397e-01] + - [1.391e-01 , 1.421e-01] + - [1.524e-01 , 1.437e-01] + - [1.591e-01 , 1.445e-01] + - [1.717e-01 , 1.458e-01] + - [1.977e-01 , 1.483e-01] + - [1.983e-01 , 1.486e-01] + - [1.990e-01 , 1.483e-01] + - [1.992e-01 , 1.484e-01] + - [2.119e-01 , 1.496e-01] + - [2.191e-01 , 1.503e-01] + - [2.525e-01 , 1.532e-01] + - [2.569e-01 , 1.537e-01] + - [2.753e-01 , 1.553e-01] + - [3.020e-01 , 1.576e-01] + - [3.508e-01 , 1.618e-01] + - [4.093e-01 , 1.671e-01] + - [4.247e-01 , 1.683e-01] + - [4.277e-01 , 1.686e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-7.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-7.yaml new file mode 100644 index 0000000..e2571b5 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-7.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 355 K + ignition-delay: + - 14.9 ms + pressure: + - 1152 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.726e-01] + - [1.463e-03 , 9.215e-01] + - [3.487e-03 , 8.350e-01] + - [3.744e-03 , 8.145e-01] + - [3.993e-03 , 7.935e-01] + - [4.492e-03 , 7.689e-01] + - [4.746e-03 , 7.550e-01] + - [5.484e-03 , 6.991e-01] + - [5.738e-03 , 6.846e-01] + - [6.237e-03 , 6.478e-01] + - [6.493e-03 , 6.249e-01] + - [6.742e-03 , 6.084e-01] + - [6.988e-03 , 5.905e-01] + - [7.241e-03 , 5.701e-01] + - [7.488e-03 , 5.527e-01] + - [7.741e-03 , 5.333e-01] + - [7.987e-03 , 5.168e-01] + - [8.240e-03 , 4.969e-01] + - [8.487e-03 , 4.814e-01] + - [8.738e-03 , 4.633e-01] + - [8.988e-03 , 4.450e-01] + - [9.238e-03 , 4.272e-01] + - [9.486e-03 , 4.102e-01] + - [9.738e-03 , 3.918e-01] + - [9.987e-03 , 3.742e-01] + - [1.024e-02 , 3.550e-01] + - [1.049e-02 , 3.365e-01] + - [1.074e-02 , 3.183e-01] + - [1.099e-02 , 3.017e-01] + - [1.124e-02 , 2.836e-01] + - [1.149e-02 , 2.653e-01] + - [1.174e-02 , 2.475e-01] + - [1.198e-02 , 2.296e-01] + - [1.223e-02 , 2.115e-01] + - [1.248e-02 , 1.935e-01] + - [1.274e-02 , 1.758e-01] + - [1.299e-02 , 1.608e-01] + - [1.324e-02 , 1.496e-01] + - [1.348e-02 , 1.398e-01] + - [1.374e-02 , 1.301e-01] + - [1.399e-02 , 1.215e-01] + - [1.424e-02 , 1.149e-01] + - [1.449e-02 , 1.115e-01] + - [1.475e-02 , 1.098e-01] + - [1.500e-02 , 1.086e-01] + - [1.552e-02 , 1.071e-01] + - [1.604e-02 , 1.062e-01] + - [1.652e-02 , 1.059e-01] + - [1.699e-02 , 1.060e-01] + - [1.750e-02 , 1.063e-01] + - [1.774e-02 , 1.067e-01] + - [1.827e-02 , 1.075e-01] + - [1.925e-02 , 1.085e-01] + - [2.097e-02 , 1.094e-01] + - [2.200e-02 , 1.102e-01] + - [2.223e-02 , 1.104e-01] + - [2.426e-02 , 1.127e-01] + - [2.530e-02 , 1.135e-01] + - [2.605e-02 , 1.138e-01] + - [2.847e-02 , 1.148e-01] + - [3.023e-02 , 1.162e-01] + - [3.146e-02 , 1.170e-01] + - [3.228e-02 , 1.173e-01] + - [3.443e-02 , 1.178e-01] + - [3.696e-02 , 1.192e-01] + - [3.859e-02 , 1.199e-01] + - [4.099e-02 , 1.204e-01] + - [4.125e-02 , 1.205e-01] + - [4.249e-02 , 1.209e-01] + - [4.275e-02 , 1.212e-01] + - [4.451e-02 , 1.220e-01] + - [4.475e-02 , 1.220e-01] + - [4.817e-02 , 1.228e-01] + - [5.024e-02 , 1.237e-01] + - [6.377e-02 , 1.275e-01] + - [8.027e-02 , 1.316e-01] + - [9.587e-02 , 1.349e-01] + - [1.108e-01 , 1.378e-01] + - [1.175e-01 , 1.389e-01] + - [1.223e-01 , 1.396e-01] + - [1.228e-01 , 1.397e-01] + - [1.391e-01 , 1.421e-01] + - [1.524e-01 , 1.437e-01] + - [1.591e-01 , 1.445e-01] + - [1.717e-01 , 1.458e-01] + - [1.977e-01 , 1.483e-01] + - [1.983e-01 , 1.486e-01] + - [1.990e-01 , 1.483e-01] + - [1.992e-01 , 1.484e-01] + - [2.119e-01 , 1.496e-01] + - [2.191e-01 , 1.503e-01] + - [2.525e-01 , 1.532e-01] + - [2.569e-01 , 1.537e-01] + - [2.753e-01 , 1.553e-01] + - [3.020e-01 , 1.576e-01] + - [3.508e-01 , 1.618e-01] + - [4.093e-01 , 1.671e-01] + - [4.247e-01 , 1.683e-01] + - [4.277e-01 , 1.686e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-8.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-8.yaml new file mode 100644 index 0000000..1edba55 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-8.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 355 K + ignition-delay: + - 16 ms + pressure: + - 1150 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.726e-01] + - [1.463e-03 , 9.215e-01] + - [3.487e-03 , 8.350e-01] + - [3.744e-03 , 8.145e-01] + - [3.993e-03 , 7.935e-01] + - [4.492e-03 , 7.689e-01] + - [4.746e-03 , 7.550e-01] + - [5.484e-03 , 6.991e-01] + - [5.738e-03 , 6.846e-01] + - [6.237e-03 , 6.478e-01] + - [6.493e-03 , 6.249e-01] + - [6.742e-03 , 6.084e-01] + - [6.988e-03 , 5.905e-01] + - [7.241e-03 , 5.701e-01] + - [7.488e-03 , 5.527e-01] + - [7.741e-03 , 5.333e-01] + - [7.987e-03 , 5.168e-01] + - [8.240e-03 , 4.969e-01] + - [8.487e-03 , 4.814e-01] + - [8.738e-03 , 4.633e-01] + - [8.988e-03 , 4.450e-01] + - [9.238e-03 , 4.272e-01] + - [9.486e-03 , 4.102e-01] + - [9.738e-03 , 3.918e-01] + - [9.987e-03 , 3.742e-01] + - [1.024e-02 , 3.550e-01] + - [1.049e-02 , 3.365e-01] + - [1.074e-02 , 3.183e-01] + - [1.099e-02 , 3.017e-01] + - [1.124e-02 , 2.836e-01] + - [1.149e-02 , 2.653e-01] + - [1.174e-02 , 2.475e-01] + - [1.198e-02 , 2.296e-01] + - [1.223e-02 , 2.115e-01] + - [1.248e-02 , 1.935e-01] + - [1.274e-02 , 1.758e-01] + - [1.299e-02 , 1.608e-01] + - [1.324e-02 , 1.496e-01] + - [1.348e-02 , 1.398e-01] + - [1.374e-02 , 1.301e-01] + - [1.399e-02 , 1.215e-01] + - [1.424e-02 , 1.149e-01] + - [1.449e-02 , 1.115e-01] + - [1.475e-02 , 1.098e-01] + - [1.500e-02 , 1.086e-01] + - [1.552e-02 , 1.071e-01] + - [1.604e-02 , 1.062e-01] + - [1.652e-02 , 1.059e-01] + - [1.699e-02 , 1.060e-01] + - [1.750e-02 , 1.063e-01] + - [1.774e-02 , 1.067e-01] + - [1.827e-02 , 1.075e-01] + - [1.925e-02 , 1.085e-01] + - [2.097e-02 , 1.094e-01] + - [2.200e-02 , 1.102e-01] + - [2.223e-02 , 1.104e-01] + - [2.426e-02 , 1.127e-01] + - [2.530e-02 , 1.135e-01] + - [2.605e-02 , 1.138e-01] + - [2.847e-02 , 1.148e-01] + - [3.023e-02 , 1.162e-01] + - [3.146e-02 , 1.170e-01] + - [3.228e-02 , 1.173e-01] + - [3.443e-02 , 1.178e-01] + - [3.696e-02 , 1.192e-01] + - [3.859e-02 , 1.199e-01] + - [4.099e-02 , 1.204e-01] + - [4.125e-02 , 1.205e-01] + - [4.249e-02 , 1.209e-01] + - [4.275e-02 , 1.212e-01] + - [4.451e-02 , 1.220e-01] + - [4.475e-02 , 1.220e-01] + - [4.817e-02 , 1.228e-01] + - [5.024e-02 , 1.237e-01] + - [6.377e-02 , 1.275e-01] + - [8.027e-02 , 1.316e-01] + - [9.587e-02 , 1.349e-01] + - [1.108e-01 , 1.378e-01] + - [1.175e-01 , 1.389e-01] + - [1.223e-01 , 1.396e-01] + - [1.228e-01 , 1.397e-01] + - [1.391e-01 , 1.421e-01] + - [1.524e-01 , 1.437e-01] + - [1.591e-01 , 1.445e-01] + - [1.717e-01 , 1.458e-01] + - [1.977e-01 , 1.483e-01] + - [1.983e-01 , 1.486e-01] + - [1.990e-01 , 1.483e-01] + - [1.992e-01 , 1.484e-01] + - [2.119e-01 , 1.496e-01] + - [2.191e-01 , 1.503e-01] + - [2.525e-01 , 1.532e-01] + - [2.569e-01 , 1.537e-01] + - [2.753e-01 , 1.553e-01] + - [3.020e-01 , 1.576e-01] + - [3.508e-01 , 1.618e-01] + - [4.093e-01 , 1.671e-01] + - [4.247e-01 , 1.683e-01] + - [4.277e-01 , 1.686e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-9.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-9.yaml new file mode 100644 index 0000000..9cf0adb --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_32-9.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 360 K + ignition-delay: + - 11.1 ms + pressure: + - 1150 mbar + equivalence-ratio: 0.35 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.726e-01] + - [1.463e-03 , 9.215e-01] + - [3.487e-03 , 8.350e-01] + - [3.744e-03 , 8.145e-01] + - [3.993e-03 , 7.935e-01] + - [4.492e-03 , 7.689e-01] + - [4.746e-03 , 7.550e-01] + - [5.484e-03 , 6.991e-01] + - [5.738e-03 , 6.846e-01] + - [6.237e-03 , 6.478e-01] + - [6.493e-03 , 6.249e-01] + - [6.742e-03 , 6.084e-01] + - [6.988e-03 , 5.905e-01] + - [7.241e-03 , 5.701e-01] + - [7.488e-03 , 5.527e-01] + - [7.741e-03 , 5.333e-01] + - [7.987e-03 , 5.168e-01] + - [8.240e-03 , 4.969e-01] + - [8.487e-03 , 4.814e-01] + - [8.738e-03 , 4.633e-01] + - [8.988e-03 , 4.450e-01] + - [9.238e-03 , 4.272e-01] + - [9.486e-03 , 4.102e-01] + - [9.738e-03 , 3.918e-01] + - [9.987e-03 , 3.742e-01] + - [1.024e-02 , 3.550e-01] + - [1.049e-02 , 3.365e-01] + - [1.074e-02 , 3.183e-01] + - [1.099e-02 , 3.017e-01] + - [1.124e-02 , 2.836e-01] + - [1.149e-02 , 2.653e-01] + - [1.174e-02 , 2.475e-01] + - [1.198e-02 , 2.296e-01] + - [1.223e-02 , 2.115e-01] + - [1.248e-02 , 1.935e-01] + - [1.274e-02 , 1.758e-01] + - [1.299e-02 , 1.608e-01] + - [1.324e-02 , 1.496e-01] + - [1.348e-02 , 1.398e-01] + - [1.374e-02 , 1.301e-01] + - [1.399e-02 , 1.215e-01] + - [1.424e-02 , 1.149e-01] + - [1.449e-02 , 1.115e-01] + - [1.475e-02 , 1.098e-01] + - [1.500e-02 , 1.086e-01] + - [1.552e-02 , 1.071e-01] + - [1.604e-02 , 1.062e-01] + - [1.652e-02 , 1.059e-01] + - [1.699e-02 , 1.060e-01] + - [1.750e-02 , 1.063e-01] + - [1.774e-02 , 1.067e-01] + - [1.827e-02 , 1.075e-01] + - [1.925e-02 , 1.085e-01] + - [2.097e-02 , 1.094e-01] + - [2.200e-02 , 1.102e-01] + - [2.223e-02 , 1.104e-01] + - [2.426e-02 , 1.127e-01] + - [2.530e-02 , 1.135e-01] + - [2.605e-02 , 1.138e-01] + - [2.847e-02 , 1.148e-01] + - [3.023e-02 , 1.162e-01] + - [3.146e-02 , 1.170e-01] + - [3.228e-02 , 1.173e-01] + - [3.443e-02 , 1.178e-01] + - [3.696e-02 , 1.192e-01] + - [3.859e-02 , 1.199e-01] + - [4.099e-02 , 1.204e-01] + - [4.125e-02 , 1.205e-01] + - [4.249e-02 , 1.209e-01] + - [4.275e-02 , 1.212e-01] + - [4.451e-02 , 1.220e-01] + - [4.475e-02 , 1.220e-01] + - [4.817e-02 , 1.228e-01] + - [5.024e-02 , 1.237e-01] + - [6.377e-02 , 1.275e-01] + - [8.027e-02 , 1.316e-01] + - [9.587e-02 , 1.349e-01] + - [1.108e-01 , 1.378e-01] + - [1.175e-01 , 1.389e-01] + - [1.223e-01 , 1.396e-01] + - [1.228e-01 , 1.397e-01] + - [1.391e-01 , 1.421e-01] + - [1.524e-01 , 1.437e-01] + - [1.591e-01 , 1.445e-01] + - [1.717e-01 , 1.458e-01] + - [1.977e-01 , 1.483e-01] + - [1.983e-01 , 1.486e-01] + - [1.990e-01 , 1.483e-01] + - [1.992e-01 , 1.484e-01] + - [2.119e-01 , 1.496e-01] + - [2.191e-01 , 1.503e-01] + - [2.525e-01 , 1.532e-01] + - [2.569e-01 , 1.537e-01] + - [2.753e-01 , 1.553e-01] + - [3.020e-01 , 1.576e-01] + - [3.508e-01 , 1.618e-01] + - [4.093e-01 , 1.671e-01] + - [4.247e-01 , 1.683e-01] + - [4.277e-01 , 1.686e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-1.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-1.yaml new file mode 100644 index 0000000..2c715a5 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-1.yaml @@ -0,0 +1,165 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 363.0 K + ignition-delay: + - 66.8 ms + pressure: + - 317.0 mbar + equivalence-ratio: 0.35 + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + rcm-data: + compressed-pressure: + - 8 bar + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.551e-01] + - [3.262e-03 , 8.788e-01] + - [4.693e-03 , 7.843e-01] + - [4.978e-03 , 7.502e-01] + - [5.231e-03 , 7.502e-01] + - [5.481e-03 , 7.327e-01] + - [5.730e-03 , 6.862e-01] + - [6.230e-03 , 6.862e-01] + - [6.486e-03 , 6.504e-01] + - [7.484e-03 , 5.758e-01] + - [7.735e-03 , 5.578e-01] + - [8.230e-03 , 5.185e-01] + - [8.983e-03 , 4.648e-01] + - [9.234e-03 , 4.438e-01] + - [9.482e-03 , 4.319e-01] + - [9.734e-03 , 4.080e-01] + - [9.983e-03 , 3.927e-01] + - [1.023e-02 , 3.721e-01] + - [1.048e-02 , 3.511e-01] + - [1.073e-02 , 3.391e-01] + - [1.098e-02 , 3.212e-01] + - [1.123e-02 , 3.043e-01] + - [1.148e-02 , 2.826e-01] + - [1.173e-02 , 2.630e-01] + - [1.198e-02 , 2.441e-01] + - [1.223e-02 , 2.257e-01] + - [1.248e-02 , 2.065e-01] + - [1.273e-02 , 1.880e-01] + - [1.348e-02 , 1.515e-01] + - [1.373e-02 , 1.408e-01] + - [1.398e-02 , 1.303e-01] + - [1.423e-02 , 1.205e-01] + - [1.448e-02 , 1.139e-01] + - [1.473e-02 , 1.105e-01] + - [1.523e-02 , 1.081e-01] + - [1.646e-02 , 1.062e-01] + - [1.674e-02 , 1.062e-01] + - [1.699e-02 , 1.065e-01] + - [1.747e-02 , 1.075e-01] + - [1.848e-02 , 1.087e-01] + - [1.874e-02 , 1.093e-01] + - [1.899e-02 , 1.091e-01] + - [2.025e-02 , 1.099e-01] + - [2.178e-02 , 1.102e-01] + - [2.449e-02 , 1.127e-01] + - [2.573e-02 , 1.133e-01] + - [2.598e-02 , 1.137e-01] + - [2.776e-02 , 1.138e-01] + - [2.974e-02 , 1.148e-01] + - [2.999e-02 , 1.149e-01] + - [3.124e-02 , 1.161e-01] + - [3.149e-02 , 1.160e-01] + - [3.274e-02 , 1.164e-01] + - [3.299e-02 , 1.167e-01] + - [3.425e-02 , 1.167e-01] + - [3.952e-02 , 1.191e-01] + - [4.209e-02 , 1.195e-01] + - [4.482e-02 , 1.209e-01] + - [4.799e-02 , 1.217e-01] + - [5.567e-02 , 1.241e-01] + - [6.122e-02 , 1.252e-01] + - [6.173e-02 , 1.260e-01] + - [6.225e-02 , 1.258e-01] + - [7.577e-02 , 1.292e-01] + - [9.593e-02 , 1.336e-01] + - [1.152e-01 , 1.375e-01] + - [1.155e-01 , 1.378e-01] + - [1.157e-01 , 1.375e-01] + - [1.265e-01 , 1.397e-01] + - [1.555e-01 , 1.446e-01] + - [1.854e-01 , 1.490e-01] + - [2.347e-01 , 1.553e-01] + - [2.350e-01 , 1.549e-01] + - [2.357e-01 , 1.556e-01] + - [2.360e-01 , 1.552e-01] + - [2.505e-01 , 1.567e-01] + - [2.520e-01 , 1.564e-01] + - [2.535e-01 , 1.571e-01] + - [2.537e-01 , 1.570e-01] + - [2.540e-01 , 1.576e-01] + - [2.545e-01 , 1.570e-01] + - [2.560e-01 , 1.576e-01] + - [2.594e-01 , 1.576e-01] + - [2.863e-01 , 1.603e-01] + - [3.212e-01 , 1.637e-01] + - [4.129e-01 , 1.719e-01] + - [4.156e-01 , 1.718e-01] + - [4.260e-01 , 1.727e-01] + - [4.264e-01 , 1.734e-01] + - [4.267e-01 , 1.728e-01] \ No newline at end of file diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-10.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-10.yaml new file mode 100644 index 0000000..64472e9 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-10.yaml @@ -0,0 +1,165 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 378.0 K + ignition-delay: + - 7.0 ms + pressure: + - 316.0 mbar + equivalence-ratio: 0.35 + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + rcm-data: + compressed-pressure: + - 8 bar + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.551e-01] + - [3.262e-03 , 8.788e-01] + - [4.693e-03 , 7.843e-01] + - [4.978e-03 , 7.502e-01] + - [5.231e-03 , 7.502e-01] + - [5.481e-03 , 7.327e-01] + - [5.730e-03 , 6.862e-01] + - [6.230e-03 , 6.862e-01] + - [6.486e-03 , 6.504e-01] + - [7.484e-03 , 5.758e-01] + - [7.735e-03 , 5.578e-01] + - [8.230e-03 , 5.185e-01] + - [8.983e-03 , 4.648e-01] + - [9.234e-03 , 4.438e-01] + - [9.482e-03 , 4.319e-01] + - [9.734e-03 , 4.080e-01] + - [9.983e-03 , 3.927e-01] + - [1.023e-02 , 3.721e-01] + - [1.048e-02 , 3.511e-01] + - [1.073e-02 , 3.391e-01] + - [1.098e-02 , 3.212e-01] + - [1.123e-02 , 3.043e-01] + - [1.148e-02 , 2.826e-01] + - [1.173e-02 , 2.630e-01] + - [1.198e-02 , 2.441e-01] + - [1.223e-02 , 2.257e-01] + - [1.248e-02 , 2.065e-01] + - [1.273e-02 , 1.880e-01] + - [1.348e-02 , 1.515e-01] + - [1.373e-02 , 1.408e-01] + - [1.398e-02 , 1.303e-01] + - [1.423e-02 , 1.205e-01] + - [1.448e-02 , 1.139e-01] + - [1.473e-02 , 1.105e-01] + - [1.523e-02 , 1.081e-01] + - [1.646e-02 , 1.062e-01] + - [1.674e-02 , 1.062e-01] + - [1.699e-02 , 1.065e-01] + - [1.747e-02 , 1.075e-01] + - [1.848e-02 , 1.087e-01] + - [1.874e-02 , 1.093e-01] + - [1.899e-02 , 1.091e-01] + - [2.025e-02 , 1.099e-01] + - [2.178e-02 , 1.102e-01] + - [2.449e-02 , 1.127e-01] + - [2.573e-02 , 1.133e-01] + - [2.598e-02 , 1.137e-01] + - [2.776e-02 , 1.138e-01] + - [2.974e-02 , 1.148e-01] + - [2.999e-02 , 1.149e-01] + - [3.124e-02 , 1.161e-01] + - [3.149e-02 , 1.160e-01] + - [3.274e-02 , 1.164e-01] + - [3.299e-02 , 1.167e-01] + - [3.425e-02 , 1.167e-01] + - [3.952e-02 , 1.191e-01] + - [4.209e-02 , 1.195e-01] + - [4.482e-02 , 1.209e-01] + - [4.799e-02 , 1.217e-01] + - [5.567e-02 , 1.241e-01] + - [6.122e-02 , 1.252e-01] + - [6.173e-02 , 1.260e-01] + - [6.225e-02 , 1.258e-01] + - [7.577e-02 , 1.292e-01] + - [9.593e-02 , 1.336e-01] + - [1.152e-01 , 1.375e-01] + - [1.155e-01 , 1.378e-01] + - [1.157e-01 , 1.375e-01] + - [1.265e-01 , 1.397e-01] + - [1.555e-01 , 1.446e-01] + - [1.854e-01 , 1.490e-01] + - [2.347e-01 , 1.553e-01] + - [2.350e-01 , 1.549e-01] + - [2.357e-01 , 1.556e-01] + - [2.360e-01 , 1.552e-01] + - [2.505e-01 , 1.567e-01] + - [2.520e-01 , 1.564e-01] + - [2.535e-01 , 1.571e-01] + - [2.537e-01 , 1.570e-01] + - [2.540e-01 , 1.576e-01] + - [2.545e-01 , 1.570e-01] + - [2.560e-01 , 1.576e-01] + - [2.594e-01 , 1.576e-01] + - [2.863e-01 , 1.603e-01] + - [3.212e-01 , 1.637e-01] + - [4.129e-01 , 1.719e-01] + - [4.156e-01 , 1.718e-01] + - [4.260e-01 , 1.727e-01] + - [4.264e-01 , 1.734e-01] + - [4.267e-01 , 1.728e-01] \ No newline at end of file diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-11.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-11.yaml new file mode 100644 index 0000000..34f4f33 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-11.yaml @@ -0,0 +1,165 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 378.0 K + ignition-delay: + - 7.5 ms + pressure: + - 317.0 mbar + equivalence-ratio: 0.35 + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + rcm-data: + compressed-pressure: + - 8 bar + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.551e-01] + - [3.262e-03 , 8.788e-01] + - [4.693e-03 , 7.843e-01] + - [4.978e-03 , 7.502e-01] + - [5.231e-03 , 7.502e-01] + - [5.481e-03 , 7.327e-01] + - [5.730e-03 , 6.862e-01] + - [6.230e-03 , 6.862e-01] + - [6.486e-03 , 6.504e-01] + - [7.484e-03 , 5.758e-01] + - [7.735e-03 , 5.578e-01] + - [8.230e-03 , 5.185e-01] + - [8.983e-03 , 4.648e-01] + - [9.234e-03 , 4.438e-01] + - [9.482e-03 , 4.319e-01] + - [9.734e-03 , 4.080e-01] + - [9.983e-03 , 3.927e-01] + - [1.023e-02 , 3.721e-01] + - [1.048e-02 , 3.511e-01] + - [1.073e-02 , 3.391e-01] + - [1.098e-02 , 3.212e-01] + - [1.123e-02 , 3.043e-01] + - [1.148e-02 , 2.826e-01] + - [1.173e-02 , 2.630e-01] + - [1.198e-02 , 2.441e-01] + - [1.223e-02 , 2.257e-01] + - [1.248e-02 , 2.065e-01] + - [1.273e-02 , 1.880e-01] + - [1.348e-02 , 1.515e-01] + - [1.373e-02 , 1.408e-01] + - [1.398e-02 , 1.303e-01] + - [1.423e-02 , 1.205e-01] + - [1.448e-02 , 1.139e-01] + - [1.473e-02 , 1.105e-01] + - [1.523e-02 , 1.081e-01] + - [1.646e-02 , 1.062e-01] + - [1.674e-02 , 1.062e-01] + - [1.699e-02 , 1.065e-01] + - [1.747e-02 , 1.075e-01] + - [1.848e-02 , 1.087e-01] + - [1.874e-02 , 1.093e-01] + - [1.899e-02 , 1.091e-01] + - [2.025e-02 , 1.099e-01] + - [2.178e-02 , 1.102e-01] + - [2.449e-02 , 1.127e-01] + - [2.573e-02 , 1.133e-01] + - [2.598e-02 , 1.137e-01] + - [2.776e-02 , 1.138e-01] + - [2.974e-02 , 1.148e-01] + - [2.999e-02 , 1.149e-01] + - [3.124e-02 , 1.161e-01] + - [3.149e-02 , 1.160e-01] + - [3.274e-02 , 1.164e-01] + - [3.299e-02 , 1.167e-01] + - [3.425e-02 , 1.167e-01] + - [3.952e-02 , 1.191e-01] + - [4.209e-02 , 1.195e-01] + - [4.482e-02 , 1.209e-01] + - [4.799e-02 , 1.217e-01] + - [5.567e-02 , 1.241e-01] + - [6.122e-02 , 1.252e-01] + - [6.173e-02 , 1.260e-01] + - [6.225e-02 , 1.258e-01] + - [7.577e-02 , 1.292e-01] + - [9.593e-02 , 1.336e-01] + - [1.152e-01 , 1.375e-01] + - [1.155e-01 , 1.378e-01] + - [1.157e-01 , 1.375e-01] + - [1.265e-01 , 1.397e-01] + - [1.555e-01 , 1.446e-01] + - [1.854e-01 , 1.490e-01] + - [2.347e-01 , 1.553e-01] + - [2.350e-01 , 1.549e-01] + - [2.357e-01 , 1.556e-01] + - [2.360e-01 , 1.552e-01] + - [2.505e-01 , 1.567e-01] + - [2.520e-01 , 1.564e-01] + - [2.535e-01 , 1.571e-01] + - [2.537e-01 , 1.570e-01] + - [2.540e-01 , 1.576e-01] + - [2.545e-01 , 1.570e-01] + - [2.560e-01 , 1.576e-01] + - [2.594e-01 , 1.576e-01] + - [2.863e-01 , 1.603e-01] + - [3.212e-01 , 1.637e-01] + - [4.129e-01 , 1.719e-01] + - [4.156e-01 , 1.718e-01] + - [4.260e-01 , 1.727e-01] + - [4.264e-01 , 1.734e-01] + - [4.267e-01 , 1.728e-01] \ No newline at end of file diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-12.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-12.yaml new file mode 100644 index 0000000..572eb74 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-12.yaml @@ -0,0 +1,165 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 378.0 K + ignition-delay: + - 7.2 ms + pressure: + - 317.0 mbar + equivalence-ratio: 0.35 + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + rcm-data: + compressed-pressure: + - 8 bar + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.551e-01] + - [3.262e-03 , 8.788e-01] + - [4.693e-03 , 7.843e-01] + - [4.978e-03 , 7.502e-01] + - [5.231e-03 , 7.502e-01] + - [5.481e-03 , 7.327e-01] + - [5.730e-03 , 6.862e-01] + - [6.230e-03 , 6.862e-01] + - [6.486e-03 , 6.504e-01] + - [7.484e-03 , 5.758e-01] + - [7.735e-03 , 5.578e-01] + - [8.230e-03 , 5.185e-01] + - [8.983e-03 , 4.648e-01] + - [9.234e-03 , 4.438e-01] + - [9.482e-03 , 4.319e-01] + - [9.734e-03 , 4.080e-01] + - [9.983e-03 , 3.927e-01] + - [1.023e-02 , 3.721e-01] + - [1.048e-02 , 3.511e-01] + - [1.073e-02 , 3.391e-01] + - [1.098e-02 , 3.212e-01] + - [1.123e-02 , 3.043e-01] + - [1.148e-02 , 2.826e-01] + - [1.173e-02 , 2.630e-01] + - [1.198e-02 , 2.441e-01] + - [1.223e-02 , 2.257e-01] + - [1.248e-02 , 2.065e-01] + - [1.273e-02 , 1.880e-01] + - [1.348e-02 , 1.515e-01] + - [1.373e-02 , 1.408e-01] + - [1.398e-02 , 1.303e-01] + - [1.423e-02 , 1.205e-01] + - [1.448e-02 , 1.139e-01] + - [1.473e-02 , 1.105e-01] + - [1.523e-02 , 1.081e-01] + - [1.646e-02 , 1.062e-01] + - [1.674e-02 , 1.062e-01] + - [1.699e-02 , 1.065e-01] + - [1.747e-02 , 1.075e-01] + - [1.848e-02 , 1.087e-01] + - [1.874e-02 , 1.093e-01] + - [1.899e-02 , 1.091e-01] + - [2.025e-02 , 1.099e-01] + - [2.178e-02 , 1.102e-01] + - [2.449e-02 , 1.127e-01] + - [2.573e-02 , 1.133e-01] + - [2.598e-02 , 1.137e-01] + - [2.776e-02 , 1.138e-01] + - [2.974e-02 , 1.148e-01] + - [2.999e-02 , 1.149e-01] + - [3.124e-02 , 1.161e-01] + - [3.149e-02 , 1.160e-01] + - [3.274e-02 , 1.164e-01] + - [3.299e-02 , 1.167e-01] + - [3.425e-02 , 1.167e-01] + - [3.952e-02 , 1.191e-01] + - [4.209e-02 , 1.195e-01] + - [4.482e-02 , 1.209e-01] + - [4.799e-02 , 1.217e-01] + - [5.567e-02 , 1.241e-01] + - [6.122e-02 , 1.252e-01] + - [6.173e-02 , 1.260e-01] + - [6.225e-02 , 1.258e-01] + - [7.577e-02 , 1.292e-01] + - [9.593e-02 , 1.336e-01] + - [1.152e-01 , 1.375e-01] + - [1.155e-01 , 1.378e-01] + - [1.157e-01 , 1.375e-01] + - [1.265e-01 , 1.397e-01] + - [1.555e-01 , 1.446e-01] + - [1.854e-01 , 1.490e-01] + - [2.347e-01 , 1.553e-01] + - [2.350e-01 , 1.549e-01] + - [2.357e-01 , 1.556e-01] + - [2.360e-01 , 1.552e-01] + - [2.505e-01 , 1.567e-01] + - [2.520e-01 , 1.564e-01] + - [2.535e-01 , 1.571e-01] + - [2.537e-01 , 1.570e-01] + - [2.540e-01 , 1.576e-01] + - [2.545e-01 , 1.570e-01] + - [2.560e-01 , 1.576e-01] + - [2.594e-01 , 1.576e-01] + - [2.863e-01 , 1.603e-01] + - [3.212e-01 , 1.637e-01] + - [4.129e-01 , 1.719e-01] + - [4.156e-01 , 1.718e-01] + - [4.260e-01 , 1.727e-01] + - [4.264e-01 , 1.734e-01] + - [4.267e-01 , 1.728e-01] \ No newline at end of file diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-13.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-13.yaml new file mode 100644 index 0000000..1c8ef33 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-13.yaml @@ -0,0 +1,165 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 380.0 K + ignition-delay: + - 4.8 ms + pressure: + - 319.0 mbar + equivalence-ratio: 0.35 + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + rcm-data: + compressed-pressure: + - 8 bar + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.551e-01] + - [3.262e-03 , 8.788e-01] + - [4.693e-03 , 7.843e-01] + - [4.978e-03 , 7.502e-01] + - [5.231e-03 , 7.502e-01] + - [5.481e-03 , 7.327e-01] + - [5.730e-03 , 6.862e-01] + - [6.230e-03 , 6.862e-01] + - [6.486e-03 , 6.504e-01] + - [7.484e-03 , 5.758e-01] + - [7.735e-03 , 5.578e-01] + - [8.230e-03 , 5.185e-01] + - [8.983e-03 , 4.648e-01] + - [9.234e-03 , 4.438e-01] + - [9.482e-03 , 4.319e-01] + - [9.734e-03 , 4.080e-01] + - [9.983e-03 , 3.927e-01] + - [1.023e-02 , 3.721e-01] + - [1.048e-02 , 3.511e-01] + - [1.073e-02 , 3.391e-01] + - [1.098e-02 , 3.212e-01] + - [1.123e-02 , 3.043e-01] + - [1.148e-02 , 2.826e-01] + - [1.173e-02 , 2.630e-01] + - [1.198e-02 , 2.441e-01] + - [1.223e-02 , 2.257e-01] + - [1.248e-02 , 2.065e-01] + - [1.273e-02 , 1.880e-01] + - [1.348e-02 , 1.515e-01] + - [1.373e-02 , 1.408e-01] + - [1.398e-02 , 1.303e-01] + - [1.423e-02 , 1.205e-01] + - [1.448e-02 , 1.139e-01] + - [1.473e-02 , 1.105e-01] + - [1.523e-02 , 1.081e-01] + - [1.646e-02 , 1.062e-01] + - [1.674e-02 , 1.062e-01] + - [1.699e-02 , 1.065e-01] + - [1.747e-02 , 1.075e-01] + - [1.848e-02 , 1.087e-01] + - [1.874e-02 , 1.093e-01] + - [1.899e-02 , 1.091e-01] + - [2.025e-02 , 1.099e-01] + - [2.178e-02 , 1.102e-01] + - [2.449e-02 , 1.127e-01] + - [2.573e-02 , 1.133e-01] + - [2.598e-02 , 1.137e-01] + - [2.776e-02 , 1.138e-01] + - [2.974e-02 , 1.148e-01] + - [2.999e-02 , 1.149e-01] + - [3.124e-02 , 1.161e-01] + - [3.149e-02 , 1.160e-01] + - [3.274e-02 , 1.164e-01] + - [3.299e-02 , 1.167e-01] + - [3.425e-02 , 1.167e-01] + - [3.952e-02 , 1.191e-01] + - [4.209e-02 , 1.195e-01] + - [4.482e-02 , 1.209e-01] + - [4.799e-02 , 1.217e-01] + - [5.567e-02 , 1.241e-01] + - [6.122e-02 , 1.252e-01] + - [6.173e-02 , 1.260e-01] + - [6.225e-02 , 1.258e-01] + - [7.577e-02 , 1.292e-01] + - [9.593e-02 , 1.336e-01] + - [1.152e-01 , 1.375e-01] + - [1.155e-01 , 1.378e-01] + - [1.157e-01 , 1.375e-01] + - [1.265e-01 , 1.397e-01] + - [1.555e-01 , 1.446e-01] + - [1.854e-01 , 1.490e-01] + - [2.347e-01 , 1.553e-01] + - [2.350e-01 , 1.549e-01] + - [2.357e-01 , 1.556e-01] + - [2.360e-01 , 1.552e-01] + - [2.505e-01 , 1.567e-01] + - [2.520e-01 , 1.564e-01] + - [2.535e-01 , 1.571e-01] + - [2.537e-01 , 1.570e-01] + - [2.540e-01 , 1.576e-01] + - [2.545e-01 , 1.570e-01] + - [2.560e-01 , 1.576e-01] + - [2.594e-01 , 1.576e-01] + - [2.863e-01 , 1.603e-01] + - [3.212e-01 , 1.637e-01] + - [4.129e-01 , 1.719e-01] + - [4.156e-01 , 1.718e-01] + - [4.260e-01 , 1.727e-01] + - [4.264e-01 , 1.734e-01] + - [4.267e-01 , 1.728e-01] \ No newline at end of file diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-14.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-14.yaml new file mode 100644 index 0000000..75a871c --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-14.yaml @@ -0,0 +1,165 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 380.0 K + ignition-delay: + - 5.0 ms + pressure: + - 318.0 mbar + equivalence-ratio: 0.35 + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + rcm-data: + compressed-pressure: + - 8 bar + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.551e-01] + - [3.262e-03 , 8.788e-01] + - [4.693e-03 , 7.843e-01] + - [4.978e-03 , 7.502e-01] + - [5.231e-03 , 7.502e-01] + - [5.481e-03 , 7.327e-01] + - [5.730e-03 , 6.862e-01] + - [6.230e-03 , 6.862e-01] + - [6.486e-03 , 6.504e-01] + - [7.484e-03 , 5.758e-01] + - [7.735e-03 , 5.578e-01] + - [8.230e-03 , 5.185e-01] + - [8.983e-03 , 4.648e-01] + - [9.234e-03 , 4.438e-01] + - [9.482e-03 , 4.319e-01] + - [9.734e-03 , 4.080e-01] + - [9.983e-03 , 3.927e-01] + - [1.023e-02 , 3.721e-01] + - [1.048e-02 , 3.511e-01] + - [1.073e-02 , 3.391e-01] + - [1.098e-02 , 3.212e-01] + - [1.123e-02 , 3.043e-01] + - [1.148e-02 , 2.826e-01] + - [1.173e-02 , 2.630e-01] + - [1.198e-02 , 2.441e-01] + - [1.223e-02 , 2.257e-01] + - [1.248e-02 , 2.065e-01] + - [1.273e-02 , 1.880e-01] + - [1.348e-02 , 1.515e-01] + - [1.373e-02 , 1.408e-01] + - [1.398e-02 , 1.303e-01] + - [1.423e-02 , 1.205e-01] + - [1.448e-02 , 1.139e-01] + - [1.473e-02 , 1.105e-01] + - [1.523e-02 , 1.081e-01] + - [1.646e-02 , 1.062e-01] + - [1.674e-02 , 1.062e-01] + - [1.699e-02 , 1.065e-01] + - [1.747e-02 , 1.075e-01] + - [1.848e-02 , 1.087e-01] + - [1.874e-02 , 1.093e-01] + - [1.899e-02 , 1.091e-01] + - [2.025e-02 , 1.099e-01] + - [2.178e-02 , 1.102e-01] + - [2.449e-02 , 1.127e-01] + - [2.573e-02 , 1.133e-01] + - [2.598e-02 , 1.137e-01] + - [2.776e-02 , 1.138e-01] + - [2.974e-02 , 1.148e-01] + - [2.999e-02 , 1.149e-01] + - [3.124e-02 , 1.161e-01] + - [3.149e-02 , 1.160e-01] + - [3.274e-02 , 1.164e-01] + - [3.299e-02 , 1.167e-01] + - [3.425e-02 , 1.167e-01] + - [3.952e-02 , 1.191e-01] + - [4.209e-02 , 1.195e-01] + - [4.482e-02 , 1.209e-01] + - [4.799e-02 , 1.217e-01] + - [5.567e-02 , 1.241e-01] + - [6.122e-02 , 1.252e-01] + - [6.173e-02 , 1.260e-01] + - [6.225e-02 , 1.258e-01] + - [7.577e-02 , 1.292e-01] + - [9.593e-02 , 1.336e-01] + - [1.152e-01 , 1.375e-01] + - [1.155e-01 , 1.378e-01] + - [1.157e-01 , 1.375e-01] + - [1.265e-01 , 1.397e-01] + - [1.555e-01 , 1.446e-01] + - [1.854e-01 , 1.490e-01] + - [2.347e-01 , 1.553e-01] + - [2.350e-01 , 1.549e-01] + - [2.357e-01 , 1.556e-01] + - [2.360e-01 , 1.552e-01] + - [2.505e-01 , 1.567e-01] + - [2.520e-01 , 1.564e-01] + - [2.535e-01 , 1.571e-01] + - [2.537e-01 , 1.570e-01] + - [2.540e-01 , 1.576e-01] + - [2.545e-01 , 1.570e-01] + - [2.560e-01 , 1.576e-01] + - [2.594e-01 , 1.576e-01] + - [2.863e-01 , 1.603e-01] + - [3.212e-01 , 1.637e-01] + - [4.129e-01 , 1.719e-01] + - [4.156e-01 , 1.718e-01] + - [4.260e-01 , 1.727e-01] + - [4.264e-01 , 1.734e-01] + - [4.267e-01 , 1.728e-01] \ No newline at end of file diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-15.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-15.yaml new file mode 100644 index 0000000..e1198a5 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-15.yaml @@ -0,0 +1,165 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 380.0 K + ignition-delay: + - 4.7 ms + pressure: + - 317.0 mbar + equivalence-ratio: 0.35 + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + rcm-data: + compressed-pressure: + - 8 bar + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.551e-01] + - [3.262e-03 , 8.788e-01] + - [4.693e-03 , 7.843e-01] + - [4.978e-03 , 7.502e-01] + - [5.231e-03 , 7.502e-01] + - [5.481e-03 , 7.327e-01] + - [5.730e-03 , 6.862e-01] + - [6.230e-03 , 6.862e-01] + - [6.486e-03 , 6.504e-01] + - [7.484e-03 , 5.758e-01] + - [7.735e-03 , 5.578e-01] + - [8.230e-03 , 5.185e-01] + - [8.983e-03 , 4.648e-01] + - [9.234e-03 , 4.438e-01] + - [9.482e-03 , 4.319e-01] + - [9.734e-03 , 4.080e-01] + - [9.983e-03 , 3.927e-01] + - [1.023e-02 , 3.721e-01] + - [1.048e-02 , 3.511e-01] + - [1.073e-02 , 3.391e-01] + - [1.098e-02 , 3.212e-01] + - [1.123e-02 , 3.043e-01] + - [1.148e-02 , 2.826e-01] + - [1.173e-02 , 2.630e-01] + - [1.198e-02 , 2.441e-01] + - [1.223e-02 , 2.257e-01] + - [1.248e-02 , 2.065e-01] + - [1.273e-02 , 1.880e-01] + - [1.348e-02 , 1.515e-01] + - [1.373e-02 , 1.408e-01] + - [1.398e-02 , 1.303e-01] + - [1.423e-02 , 1.205e-01] + - [1.448e-02 , 1.139e-01] + - [1.473e-02 , 1.105e-01] + - [1.523e-02 , 1.081e-01] + - [1.646e-02 , 1.062e-01] + - [1.674e-02 , 1.062e-01] + - [1.699e-02 , 1.065e-01] + - [1.747e-02 , 1.075e-01] + - [1.848e-02 , 1.087e-01] + - [1.874e-02 , 1.093e-01] + - [1.899e-02 , 1.091e-01] + - [2.025e-02 , 1.099e-01] + - [2.178e-02 , 1.102e-01] + - [2.449e-02 , 1.127e-01] + - [2.573e-02 , 1.133e-01] + - [2.598e-02 , 1.137e-01] + - [2.776e-02 , 1.138e-01] + - [2.974e-02 , 1.148e-01] + - [2.999e-02 , 1.149e-01] + - [3.124e-02 , 1.161e-01] + - [3.149e-02 , 1.160e-01] + - [3.274e-02 , 1.164e-01] + - [3.299e-02 , 1.167e-01] + - [3.425e-02 , 1.167e-01] + - [3.952e-02 , 1.191e-01] + - [4.209e-02 , 1.195e-01] + - [4.482e-02 , 1.209e-01] + - [4.799e-02 , 1.217e-01] + - [5.567e-02 , 1.241e-01] + - [6.122e-02 , 1.252e-01] + - [6.173e-02 , 1.260e-01] + - [6.225e-02 , 1.258e-01] + - [7.577e-02 , 1.292e-01] + - [9.593e-02 , 1.336e-01] + - [1.152e-01 , 1.375e-01] + - [1.155e-01 , 1.378e-01] + - [1.157e-01 , 1.375e-01] + - [1.265e-01 , 1.397e-01] + - [1.555e-01 , 1.446e-01] + - [1.854e-01 , 1.490e-01] + - [2.347e-01 , 1.553e-01] + - [2.350e-01 , 1.549e-01] + - [2.357e-01 , 1.556e-01] + - [2.360e-01 , 1.552e-01] + - [2.505e-01 , 1.567e-01] + - [2.520e-01 , 1.564e-01] + - [2.535e-01 , 1.571e-01] + - [2.537e-01 , 1.570e-01] + - [2.540e-01 , 1.576e-01] + - [2.545e-01 , 1.570e-01] + - [2.560e-01 , 1.576e-01] + - [2.594e-01 , 1.576e-01] + - [2.863e-01 , 1.603e-01] + - [3.212e-01 , 1.637e-01] + - [4.129e-01 , 1.719e-01] + - [4.156e-01 , 1.718e-01] + - [4.260e-01 , 1.727e-01] + - [4.264e-01 , 1.734e-01] + - [4.267e-01 , 1.728e-01] \ No newline at end of file diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-16.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-16.yaml new file mode 100644 index 0000000..3935624 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-16.yaml @@ -0,0 +1,165 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 380.0 K + ignition-delay: + - 5.0 ms + pressure: + - 317.0 mbar + equivalence-ratio: 0.35 + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + rcm-data: + compressed-pressure: + - 8 bar + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.551e-01] + - [3.262e-03 , 8.788e-01] + - [4.693e-03 , 7.843e-01] + - [4.978e-03 , 7.502e-01] + - [5.231e-03 , 7.502e-01] + - [5.481e-03 , 7.327e-01] + - [5.730e-03 , 6.862e-01] + - [6.230e-03 , 6.862e-01] + - [6.486e-03 , 6.504e-01] + - [7.484e-03 , 5.758e-01] + - [7.735e-03 , 5.578e-01] + - [8.230e-03 , 5.185e-01] + - [8.983e-03 , 4.648e-01] + - [9.234e-03 , 4.438e-01] + - [9.482e-03 , 4.319e-01] + - [9.734e-03 , 4.080e-01] + - [9.983e-03 , 3.927e-01] + - [1.023e-02 , 3.721e-01] + - [1.048e-02 , 3.511e-01] + - [1.073e-02 , 3.391e-01] + - [1.098e-02 , 3.212e-01] + - [1.123e-02 , 3.043e-01] + - [1.148e-02 , 2.826e-01] + - [1.173e-02 , 2.630e-01] + - [1.198e-02 , 2.441e-01] + - [1.223e-02 , 2.257e-01] + - [1.248e-02 , 2.065e-01] + - [1.273e-02 , 1.880e-01] + - [1.348e-02 , 1.515e-01] + - [1.373e-02 , 1.408e-01] + - [1.398e-02 , 1.303e-01] + - [1.423e-02 , 1.205e-01] + - [1.448e-02 , 1.139e-01] + - [1.473e-02 , 1.105e-01] + - [1.523e-02 , 1.081e-01] + - [1.646e-02 , 1.062e-01] + - [1.674e-02 , 1.062e-01] + - [1.699e-02 , 1.065e-01] + - [1.747e-02 , 1.075e-01] + - [1.848e-02 , 1.087e-01] + - [1.874e-02 , 1.093e-01] + - [1.899e-02 , 1.091e-01] + - [2.025e-02 , 1.099e-01] + - [2.178e-02 , 1.102e-01] + - [2.449e-02 , 1.127e-01] + - [2.573e-02 , 1.133e-01] + - [2.598e-02 , 1.137e-01] + - [2.776e-02 , 1.138e-01] + - [2.974e-02 , 1.148e-01] + - [2.999e-02 , 1.149e-01] + - [3.124e-02 , 1.161e-01] + - [3.149e-02 , 1.160e-01] + - [3.274e-02 , 1.164e-01] + - [3.299e-02 , 1.167e-01] + - [3.425e-02 , 1.167e-01] + - [3.952e-02 , 1.191e-01] + - [4.209e-02 , 1.195e-01] + - [4.482e-02 , 1.209e-01] + - [4.799e-02 , 1.217e-01] + - [5.567e-02 , 1.241e-01] + - [6.122e-02 , 1.252e-01] + - [6.173e-02 , 1.260e-01] + - [6.225e-02 , 1.258e-01] + - [7.577e-02 , 1.292e-01] + - [9.593e-02 , 1.336e-01] + - [1.152e-01 , 1.375e-01] + - [1.155e-01 , 1.378e-01] + - [1.157e-01 , 1.375e-01] + - [1.265e-01 , 1.397e-01] + - [1.555e-01 , 1.446e-01] + - [1.854e-01 , 1.490e-01] + - [2.347e-01 , 1.553e-01] + - [2.350e-01 , 1.549e-01] + - [2.357e-01 , 1.556e-01] + - [2.360e-01 , 1.552e-01] + - [2.505e-01 , 1.567e-01] + - [2.520e-01 , 1.564e-01] + - [2.535e-01 , 1.571e-01] + - [2.537e-01 , 1.570e-01] + - [2.540e-01 , 1.576e-01] + - [2.545e-01 , 1.570e-01] + - [2.560e-01 , 1.576e-01] + - [2.594e-01 , 1.576e-01] + - [2.863e-01 , 1.603e-01] + - [3.212e-01 , 1.637e-01] + - [4.129e-01 , 1.719e-01] + - [4.156e-01 , 1.718e-01] + - [4.260e-01 , 1.727e-01] + - [4.264e-01 , 1.734e-01] + - [4.267e-01 , 1.728e-01] \ No newline at end of file diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-2.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-2.yaml new file mode 100644 index 0000000..2eed43d --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-2.yaml @@ -0,0 +1,165 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 363.0 K + ignition-delay: + - 67.4 ms + pressure: + - 317.0 mbar + equivalence-ratio: 0.35 + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + rcm-data: + compressed-pressure: + - 8 bar + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.551e-01] + - [3.262e-03 , 8.788e-01] + - [4.693e-03 , 7.843e-01] + - [4.978e-03 , 7.502e-01] + - [5.231e-03 , 7.502e-01] + - [5.481e-03 , 7.327e-01] + - [5.730e-03 , 6.862e-01] + - [6.230e-03 , 6.862e-01] + - [6.486e-03 , 6.504e-01] + - [7.484e-03 , 5.758e-01] + - [7.735e-03 , 5.578e-01] + - [8.230e-03 , 5.185e-01] + - [8.983e-03 , 4.648e-01] + - [9.234e-03 , 4.438e-01] + - [9.482e-03 , 4.319e-01] + - [9.734e-03 , 4.080e-01] + - [9.983e-03 , 3.927e-01] + - [1.023e-02 , 3.721e-01] + - [1.048e-02 , 3.511e-01] + - [1.073e-02 , 3.391e-01] + - [1.098e-02 , 3.212e-01] + - [1.123e-02 , 3.043e-01] + - [1.148e-02 , 2.826e-01] + - [1.173e-02 , 2.630e-01] + - [1.198e-02 , 2.441e-01] + - [1.223e-02 , 2.257e-01] + - [1.248e-02 , 2.065e-01] + - [1.273e-02 , 1.880e-01] + - [1.348e-02 , 1.515e-01] + - [1.373e-02 , 1.408e-01] + - [1.398e-02 , 1.303e-01] + - [1.423e-02 , 1.205e-01] + - [1.448e-02 , 1.139e-01] + - [1.473e-02 , 1.105e-01] + - [1.523e-02 , 1.081e-01] + - [1.646e-02 , 1.062e-01] + - [1.674e-02 , 1.062e-01] + - [1.699e-02 , 1.065e-01] + - [1.747e-02 , 1.075e-01] + - [1.848e-02 , 1.087e-01] + - [1.874e-02 , 1.093e-01] + - [1.899e-02 , 1.091e-01] + - [2.025e-02 , 1.099e-01] + - [2.178e-02 , 1.102e-01] + - [2.449e-02 , 1.127e-01] + - [2.573e-02 , 1.133e-01] + - [2.598e-02 , 1.137e-01] + - [2.776e-02 , 1.138e-01] + - [2.974e-02 , 1.148e-01] + - [2.999e-02 , 1.149e-01] + - [3.124e-02 , 1.161e-01] + - [3.149e-02 , 1.160e-01] + - [3.274e-02 , 1.164e-01] + - [3.299e-02 , 1.167e-01] + - [3.425e-02 , 1.167e-01] + - [3.952e-02 , 1.191e-01] + - [4.209e-02 , 1.195e-01] + - [4.482e-02 , 1.209e-01] + - [4.799e-02 , 1.217e-01] + - [5.567e-02 , 1.241e-01] + - [6.122e-02 , 1.252e-01] + - [6.173e-02 , 1.260e-01] + - [6.225e-02 , 1.258e-01] + - [7.577e-02 , 1.292e-01] + - [9.593e-02 , 1.336e-01] + - [1.152e-01 , 1.375e-01] + - [1.155e-01 , 1.378e-01] + - [1.157e-01 , 1.375e-01] + - [1.265e-01 , 1.397e-01] + - [1.555e-01 , 1.446e-01] + - [1.854e-01 , 1.490e-01] + - [2.347e-01 , 1.553e-01] + - [2.350e-01 , 1.549e-01] + - [2.357e-01 , 1.556e-01] + - [2.360e-01 , 1.552e-01] + - [2.505e-01 , 1.567e-01] + - [2.520e-01 , 1.564e-01] + - [2.535e-01 , 1.571e-01] + - [2.537e-01 , 1.570e-01] + - [2.540e-01 , 1.576e-01] + - [2.545e-01 , 1.570e-01] + - [2.560e-01 , 1.576e-01] + - [2.594e-01 , 1.576e-01] + - [2.863e-01 , 1.603e-01] + - [3.212e-01 , 1.637e-01] + - [4.129e-01 , 1.719e-01] + - [4.156e-01 , 1.718e-01] + - [4.260e-01 , 1.727e-01] + - [4.264e-01 , 1.734e-01] + - [4.267e-01 , 1.728e-01] \ No newline at end of file diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-3.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-3.yaml new file mode 100644 index 0000000..1ff6b9e --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-3.yaml @@ -0,0 +1,165 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 363.0 K + ignition-delay: + - 65.9 ms + pressure: + - 320.0 mbar + equivalence-ratio: 0.35 + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + rcm-data: + compressed-pressure: + - 8 bar + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.551e-01] + - [3.262e-03 , 8.788e-01] + - [4.693e-03 , 7.843e-01] + - [4.978e-03 , 7.502e-01] + - [5.231e-03 , 7.502e-01] + - [5.481e-03 , 7.327e-01] + - [5.730e-03 , 6.862e-01] + - [6.230e-03 , 6.862e-01] + - [6.486e-03 , 6.504e-01] + - [7.484e-03 , 5.758e-01] + - [7.735e-03 , 5.578e-01] + - [8.230e-03 , 5.185e-01] + - [8.983e-03 , 4.648e-01] + - [9.234e-03 , 4.438e-01] + - [9.482e-03 , 4.319e-01] + - [9.734e-03 , 4.080e-01] + - [9.983e-03 , 3.927e-01] + - [1.023e-02 , 3.721e-01] + - [1.048e-02 , 3.511e-01] + - [1.073e-02 , 3.391e-01] + - [1.098e-02 , 3.212e-01] + - [1.123e-02 , 3.043e-01] + - [1.148e-02 , 2.826e-01] + - [1.173e-02 , 2.630e-01] + - [1.198e-02 , 2.441e-01] + - [1.223e-02 , 2.257e-01] + - [1.248e-02 , 2.065e-01] + - [1.273e-02 , 1.880e-01] + - [1.348e-02 , 1.515e-01] + - [1.373e-02 , 1.408e-01] + - [1.398e-02 , 1.303e-01] + - [1.423e-02 , 1.205e-01] + - [1.448e-02 , 1.139e-01] + - [1.473e-02 , 1.105e-01] + - [1.523e-02 , 1.081e-01] + - [1.646e-02 , 1.062e-01] + - [1.674e-02 , 1.062e-01] + - [1.699e-02 , 1.065e-01] + - [1.747e-02 , 1.075e-01] + - [1.848e-02 , 1.087e-01] + - [1.874e-02 , 1.093e-01] + - [1.899e-02 , 1.091e-01] + - [2.025e-02 , 1.099e-01] + - [2.178e-02 , 1.102e-01] + - [2.449e-02 , 1.127e-01] + - [2.573e-02 , 1.133e-01] + - [2.598e-02 , 1.137e-01] + - [2.776e-02 , 1.138e-01] + - [2.974e-02 , 1.148e-01] + - [2.999e-02 , 1.149e-01] + - [3.124e-02 , 1.161e-01] + - [3.149e-02 , 1.160e-01] + - [3.274e-02 , 1.164e-01] + - [3.299e-02 , 1.167e-01] + - [3.425e-02 , 1.167e-01] + - [3.952e-02 , 1.191e-01] + - [4.209e-02 , 1.195e-01] + - [4.482e-02 , 1.209e-01] + - [4.799e-02 , 1.217e-01] + - [5.567e-02 , 1.241e-01] + - [6.122e-02 , 1.252e-01] + - [6.173e-02 , 1.260e-01] + - [6.225e-02 , 1.258e-01] + - [7.577e-02 , 1.292e-01] + - [9.593e-02 , 1.336e-01] + - [1.152e-01 , 1.375e-01] + - [1.155e-01 , 1.378e-01] + - [1.157e-01 , 1.375e-01] + - [1.265e-01 , 1.397e-01] + - [1.555e-01 , 1.446e-01] + - [1.854e-01 , 1.490e-01] + - [2.347e-01 , 1.553e-01] + - [2.350e-01 , 1.549e-01] + - [2.357e-01 , 1.556e-01] + - [2.360e-01 , 1.552e-01] + - [2.505e-01 , 1.567e-01] + - [2.520e-01 , 1.564e-01] + - [2.535e-01 , 1.571e-01] + - [2.537e-01 , 1.570e-01] + - [2.540e-01 , 1.576e-01] + - [2.545e-01 , 1.570e-01] + - [2.560e-01 , 1.576e-01] + - [2.594e-01 , 1.576e-01] + - [2.863e-01 , 1.603e-01] + - [3.212e-01 , 1.637e-01] + - [4.129e-01 , 1.719e-01] + - [4.156e-01 , 1.718e-01] + - [4.260e-01 , 1.727e-01] + - [4.264e-01 , 1.734e-01] + - [4.267e-01 , 1.728e-01] \ No newline at end of file diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-4.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-4.yaml new file mode 100644 index 0000000..ba71a84 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-4.yaml @@ -0,0 +1,165 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 368.0 K + ignition-delay: + - 31.9 ms + pressure: + - 317.0 mbar + equivalence-ratio: 0.35 + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + rcm-data: + compressed-pressure: + - 8 bar + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.551e-01] + - [3.262e-03 , 8.788e-01] + - [4.693e-03 , 7.843e-01] + - [4.978e-03 , 7.502e-01] + - [5.231e-03 , 7.502e-01] + - [5.481e-03 , 7.327e-01] + - [5.730e-03 , 6.862e-01] + - [6.230e-03 , 6.862e-01] + - [6.486e-03 , 6.504e-01] + - [7.484e-03 , 5.758e-01] + - [7.735e-03 , 5.578e-01] + - [8.230e-03 , 5.185e-01] + - [8.983e-03 , 4.648e-01] + - [9.234e-03 , 4.438e-01] + - [9.482e-03 , 4.319e-01] + - [9.734e-03 , 4.080e-01] + - [9.983e-03 , 3.927e-01] + - [1.023e-02 , 3.721e-01] + - [1.048e-02 , 3.511e-01] + - [1.073e-02 , 3.391e-01] + - [1.098e-02 , 3.212e-01] + - [1.123e-02 , 3.043e-01] + - [1.148e-02 , 2.826e-01] + - [1.173e-02 , 2.630e-01] + - [1.198e-02 , 2.441e-01] + - [1.223e-02 , 2.257e-01] + - [1.248e-02 , 2.065e-01] + - [1.273e-02 , 1.880e-01] + - [1.348e-02 , 1.515e-01] + - [1.373e-02 , 1.408e-01] + - [1.398e-02 , 1.303e-01] + - [1.423e-02 , 1.205e-01] + - [1.448e-02 , 1.139e-01] + - [1.473e-02 , 1.105e-01] + - [1.523e-02 , 1.081e-01] + - [1.646e-02 , 1.062e-01] + - [1.674e-02 , 1.062e-01] + - [1.699e-02 , 1.065e-01] + - [1.747e-02 , 1.075e-01] + - [1.848e-02 , 1.087e-01] + - [1.874e-02 , 1.093e-01] + - [1.899e-02 , 1.091e-01] + - [2.025e-02 , 1.099e-01] + - [2.178e-02 , 1.102e-01] + - [2.449e-02 , 1.127e-01] + - [2.573e-02 , 1.133e-01] + - [2.598e-02 , 1.137e-01] + - [2.776e-02 , 1.138e-01] + - [2.974e-02 , 1.148e-01] + - [2.999e-02 , 1.149e-01] + - [3.124e-02 , 1.161e-01] + - [3.149e-02 , 1.160e-01] + - [3.274e-02 , 1.164e-01] + - [3.299e-02 , 1.167e-01] + - [3.425e-02 , 1.167e-01] + - [3.952e-02 , 1.191e-01] + - [4.209e-02 , 1.195e-01] + - [4.482e-02 , 1.209e-01] + - [4.799e-02 , 1.217e-01] + - [5.567e-02 , 1.241e-01] + - [6.122e-02 , 1.252e-01] + - [6.173e-02 , 1.260e-01] + - [6.225e-02 , 1.258e-01] + - [7.577e-02 , 1.292e-01] + - [9.593e-02 , 1.336e-01] + - [1.152e-01 , 1.375e-01] + - [1.155e-01 , 1.378e-01] + - [1.157e-01 , 1.375e-01] + - [1.265e-01 , 1.397e-01] + - [1.555e-01 , 1.446e-01] + - [1.854e-01 , 1.490e-01] + - [2.347e-01 , 1.553e-01] + - [2.350e-01 , 1.549e-01] + - [2.357e-01 , 1.556e-01] + - [2.360e-01 , 1.552e-01] + - [2.505e-01 , 1.567e-01] + - [2.520e-01 , 1.564e-01] + - [2.535e-01 , 1.571e-01] + - [2.537e-01 , 1.570e-01] + - [2.540e-01 , 1.576e-01] + - [2.545e-01 , 1.570e-01] + - [2.560e-01 , 1.576e-01] + - [2.594e-01 , 1.576e-01] + - [2.863e-01 , 1.603e-01] + - [3.212e-01 , 1.637e-01] + - [4.129e-01 , 1.719e-01] + - [4.156e-01 , 1.718e-01] + - [4.260e-01 , 1.727e-01] + - [4.264e-01 , 1.734e-01] + - [4.267e-01 , 1.728e-01] \ No newline at end of file diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-5.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-5.yaml new file mode 100644 index 0000000..c429354 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-5.yaml @@ -0,0 +1,165 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 368.0 K + ignition-delay: + - 28.5 ms + pressure: + - 317.0 mbar + equivalence-ratio: 0.35 + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + rcm-data: + compressed-pressure: + - 8 bar + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.551e-01] + - [3.262e-03 , 8.788e-01] + - [4.693e-03 , 7.843e-01] + - [4.978e-03 , 7.502e-01] + - [5.231e-03 , 7.502e-01] + - [5.481e-03 , 7.327e-01] + - [5.730e-03 , 6.862e-01] + - [6.230e-03 , 6.862e-01] + - [6.486e-03 , 6.504e-01] + - [7.484e-03 , 5.758e-01] + - [7.735e-03 , 5.578e-01] + - [8.230e-03 , 5.185e-01] + - [8.983e-03 , 4.648e-01] + - [9.234e-03 , 4.438e-01] + - [9.482e-03 , 4.319e-01] + - [9.734e-03 , 4.080e-01] + - [9.983e-03 , 3.927e-01] + - [1.023e-02 , 3.721e-01] + - [1.048e-02 , 3.511e-01] + - [1.073e-02 , 3.391e-01] + - [1.098e-02 , 3.212e-01] + - [1.123e-02 , 3.043e-01] + - [1.148e-02 , 2.826e-01] + - [1.173e-02 , 2.630e-01] + - [1.198e-02 , 2.441e-01] + - [1.223e-02 , 2.257e-01] + - [1.248e-02 , 2.065e-01] + - [1.273e-02 , 1.880e-01] + - [1.348e-02 , 1.515e-01] + - [1.373e-02 , 1.408e-01] + - [1.398e-02 , 1.303e-01] + - [1.423e-02 , 1.205e-01] + - [1.448e-02 , 1.139e-01] + - [1.473e-02 , 1.105e-01] + - [1.523e-02 , 1.081e-01] + - [1.646e-02 , 1.062e-01] + - [1.674e-02 , 1.062e-01] + - [1.699e-02 , 1.065e-01] + - [1.747e-02 , 1.075e-01] + - [1.848e-02 , 1.087e-01] + - [1.874e-02 , 1.093e-01] + - [1.899e-02 , 1.091e-01] + - [2.025e-02 , 1.099e-01] + - [2.178e-02 , 1.102e-01] + - [2.449e-02 , 1.127e-01] + - [2.573e-02 , 1.133e-01] + - [2.598e-02 , 1.137e-01] + - [2.776e-02 , 1.138e-01] + - [2.974e-02 , 1.148e-01] + - [2.999e-02 , 1.149e-01] + - [3.124e-02 , 1.161e-01] + - [3.149e-02 , 1.160e-01] + - [3.274e-02 , 1.164e-01] + - [3.299e-02 , 1.167e-01] + - [3.425e-02 , 1.167e-01] + - [3.952e-02 , 1.191e-01] + - [4.209e-02 , 1.195e-01] + - [4.482e-02 , 1.209e-01] + - [4.799e-02 , 1.217e-01] + - [5.567e-02 , 1.241e-01] + - [6.122e-02 , 1.252e-01] + - [6.173e-02 , 1.260e-01] + - [6.225e-02 , 1.258e-01] + - [7.577e-02 , 1.292e-01] + - [9.593e-02 , 1.336e-01] + - [1.152e-01 , 1.375e-01] + - [1.155e-01 , 1.378e-01] + - [1.157e-01 , 1.375e-01] + - [1.265e-01 , 1.397e-01] + - [1.555e-01 , 1.446e-01] + - [1.854e-01 , 1.490e-01] + - [2.347e-01 , 1.553e-01] + - [2.350e-01 , 1.549e-01] + - [2.357e-01 , 1.556e-01] + - [2.360e-01 , 1.552e-01] + - [2.505e-01 , 1.567e-01] + - [2.520e-01 , 1.564e-01] + - [2.535e-01 , 1.571e-01] + - [2.537e-01 , 1.570e-01] + - [2.540e-01 , 1.576e-01] + - [2.545e-01 , 1.570e-01] + - [2.560e-01 , 1.576e-01] + - [2.594e-01 , 1.576e-01] + - [2.863e-01 , 1.603e-01] + - [3.212e-01 , 1.637e-01] + - [4.129e-01 , 1.719e-01] + - [4.156e-01 , 1.718e-01] + - [4.260e-01 , 1.727e-01] + - [4.264e-01 , 1.734e-01] + - [4.267e-01 , 1.728e-01] \ No newline at end of file diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-6.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-6.yaml new file mode 100644 index 0000000..3c8719e --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-6.yaml @@ -0,0 +1,165 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 368.0 K + ignition-delay: + - 26.6 ms + pressure: + - 319.0 mbar + equivalence-ratio: 0.35 + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + rcm-data: + compressed-pressure: + - 8 bar + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.551e-01] + - [3.262e-03 , 8.788e-01] + - [4.693e-03 , 7.843e-01] + - [4.978e-03 , 7.502e-01] + - [5.231e-03 , 7.502e-01] + - [5.481e-03 , 7.327e-01] + - [5.730e-03 , 6.862e-01] + - [6.230e-03 , 6.862e-01] + - [6.486e-03 , 6.504e-01] + - [7.484e-03 , 5.758e-01] + - [7.735e-03 , 5.578e-01] + - [8.230e-03 , 5.185e-01] + - [8.983e-03 , 4.648e-01] + - [9.234e-03 , 4.438e-01] + - [9.482e-03 , 4.319e-01] + - [9.734e-03 , 4.080e-01] + - [9.983e-03 , 3.927e-01] + - [1.023e-02 , 3.721e-01] + - [1.048e-02 , 3.511e-01] + - [1.073e-02 , 3.391e-01] + - [1.098e-02 , 3.212e-01] + - [1.123e-02 , 3.043e-01] + - [1.148e-02 , 2.826e-01] + - [1.173e-02 , 2.630e-01] + - [1.198e-02 , 2.441e-01] + - [1.223e-02 , 2.257e-01] + - [1.248e-02 , 2.065e-01] + - [1.273e-02 , 1.880e-01] + - [1.348e-02 , 1.515e-01] + - [1.373e-02 , 1.408e-01] + - [1.398e-02 , 1.303e-01] + - [1.423e-02 , 1.205e-01] + - [1.448e-02 , 1.139e-01] + - [1.473e-02 , 1.105e-01] + - [1.523e-02 , 1.081e-01] + - [1.646e-02 , 1.062e-01] + - [1.674e-02 , 1.062e-01] + - [1.699e-02 , 1.065e-01] + - [1.747e-02 , 1.075e-01] + - [1.848e-02 , 1.087e-01] + - [1.874e-02 , 1.093e-01] + - [1.899e-02 , 1.091e-01] + - [2.025e-02 , 1.099e-01] + - [2.178e-02 , 1.102e-01] + - [2.449e-02 , 1.127e-01] + - [2.573e-02 , 1.133e-01] + - [2.598e-02 , 1.137e-01] + - [2.776e-02 , 1.138e-01] + - [2.974e-02 , 1.148e-01] + - [2.999e-02 , 1.149e-01] + - [3.124e-02 , 1.161e-01] + - [3.149e-02 , 1.160e-01] + - [3.274e-02 , 1.164e-01] + - [3.299e-02 , 1.167e-01] + - [3.425e-02 , 1.167e-01] + - [3.952e-02 , 1.191e-01] + - [4.209e-02 , 1.195e-01] + - [4.482e-02 , 1.209e-01] + - [4.799e-02 , 1.217e-01] + - [5.567e-02 , 1.241e-01] + - [6.122e-02 , 1.252e-01] + - [6.173e-02 , 1.260e-01] + - [6.225e-02 , 1.258e-01] + - [7.577e-02 , 1.292e-01] + - [9.593e-02 , 1.336e-01] + - [1.152e-01 , 1.375e-01] + - [1.155e-01 , 1.378e-01] + - [1.157e-01 , 1.375e-01] + - [1.265e-01 , 1.397e-01] + - [1.555e-01 , 1.446e-01] + - [1.854e-01 , 1.490e-01] + - [2.347e-01 , 1.553e-01] + - [2.350e-01 , 1.549e-01] + - [2.357e-01 , 1.556e-01] + - [2.360e-01 , 1.552e-01] + - [2.505e-01 , 1.567e-01] + - [2.520e-01 , 1.564e-01] + - [2.535e-01 , 1.571e-01] + - [2.537e-01 , 1.570e-01] + - [2.540e-01 , 1.576e-01] + - [2.545e-01 , 1.570e-01] + - [2.560e-01 , 1.576e-01] + - [2.594e-01 , 1.576e-01] + - [2.863e-01 , 1.603e-01] + - [3.212e-01 , 1.637e-01] + - [4.129e-01 , 1.719e-01] + - [4.156e-01 , 1.718e-01] + - [4.260e-01 , 1.727e-01] + - [4.264e-01 , 1.734e-01] + - [4.267e-01 , 1.728e-01] \ No newline at end of file diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-7.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-7.yaml new file mode 100644 index 0000000..dd6af27 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-7.yaml @@ -0,0 +1,165 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 373.0 K + ignition-delay: + - 10.1 ms + pressure: + - 316.0 mbar + equivalence-ratio: 0.35 + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + rcm-data: + compressed-pressure: + - 8 bar + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.551e-01] + - [3.262e-03 , 8.788e-01] + - [4.693e-03 , 7.843e-01] + - [4.978e-03 , 7.502e-01] + - [5.231e-03 , 7.502e-01] + - [5.481e-03 , 7.327e-01] + - [5.730e-03 , 6.862e-01] + - [6.230e-03 , 6.862e-01] + - [6.486e-03 , 6.504e-01] + - [7.484e-03 , 5.758e-01] + - [7.735e-03 , 5.578e-01] + - [8.230e-03 , 5.185e-01] + - [8.983e-03 , 4.648e-01] + - [9.234e-03 , 4.438e-01] + - [9.482e-03 , 4.319e-01] + - [9.734e-03 , 4.080e-01] + - [9.983e-03 , 3.927e-01] + - [1.023e-02 , 3.721e-01] + - [1.048e-02 , 3.511e-01] + - [1.073e-02 , 3.391e-01] + - [1.098e-02 , 3.212e-01] + - [1.123e-02 , 3.043e-01] + - [1.148e-02 , 2.826e-01] + - [1.173e-02 , 2.630e-01] + - [1.198e-02 , 2.441e-01] + - [1.223e-02 , 2.257e-01] + - [1.248e-02 , 2.065e-01] + - [1.273e-02 , 1.880e-01] + - [1.348e-02 , 1.515e-01] + - [1.373e-02 , 1.408e-01] + - [1.398e-02 , 1.303e-01] + - [1.423e-02 , 1.205e-01] + - [1.448e-02 , 1.139e-01] + - [1.473e-02 , 1.105e-01] + - [1.523e-02 , 1.081e-01] + - [1.646e-02 , 1.062e-01] + - [1.674e-02 , 1.062e-01] + - [1.699e-02 , 1.065e-01] + - [1.747e-02 , 1.075e-01] + - [1.848e-02 , 1.087e-01] + - [1.874e-02 , 1.093e-01] + - [1.899e-02 , 1.091e-01] + - [2.025e-02 , 1.099e-01] + - [2.178e-02 , 1.102e-01] + - [2.449e-02 , 1.127e-01] + - [2.573e-02 , 1.133e-01] + - [2.598e-02 , 1.137e-01] + - [2.776e-02 , 1.138e-01] + - [2.974e-02 , 1.148e-01] + - [2.999e-02 , 1.149e-01] + - [3.124e-02 , 1.161e-01] + - [3.149e-02 , 1.160e-01] + - [3.274e-02 , 1.164e-01] + - [3.299e-02 , 1.167e-01] + - [3.425e-02 , 1.167e-01] + - [3.952e-02 , 1.191e-01] + - [4.209e-02 , 1.195e-01] + - [4.482e-02 , 1.209e-01] + - [4.799e-02 , 1.217e-01] + - [5.567e-02 , 1.241e-01] + - [6.122e-02 , 1.252e-01] + - [6.173e-02 , 1.260e-01] + - [6.225e-02 , 1.258e-01] + - [7.577e-02 , 1.292e-01] + - [9.593e-02 , 1.336e-01] + - [1.152e-01 , 1.375e-01] + - [1.155e-01 , 1.378e-01] + - [1.157e-01 , 1.375e-01] + - [1.265e-01 , 1.397e-01] + - [1.555e-01 , 1.446e-01] + - [1.854e-01 , 1.490e-01] + - [2.347e-01 , 1.553e-01] + - [2.350e-01 , 1.549e-01] + - [2.357e-01 , 1.556e-01] + - [2.360e-01 , 1.552e-01] + - [2.505e-01 , 1.567e-01] + - [2.520e-01 , 1.564e-01] + - [2.535e-01 , 1.571e-01] + - [2.537e-01 , 1.570e-01] + - [2.540e-01 , 1.576e-01] + - [2.545e-01 , 1.570e-01] + - [2.560e-01 , 1.576e-01] + - [2.594e-01 , 1.576e-01] + - [2.863e-01 , 1.603e-01] + - [3.212e-01 , 1.637e-01] + - [4.129e-01 , 1.719e-01] + - [4.156e-01 , 1.718e-01] + - [4.260e-01 , 1.727e-01] + - [4.264e-01 , 1.734e-01] + - [4.267e-01 , 1.728e-01] \ No newline at end of file diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-8.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-8.yaml new file mode 100644 index 0000000..f470ef0 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-8.yaml @@ -0,0 +1,165 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 373.0 K + ignition-delay: + - 9.9 ms + pressure: + - 317.0 mbar + equivalence-ratio: 0.35 + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + rcm-data: + compressed-pressure: + - 8 bar + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.551e-01] + - [3.262e-03 , 8.788e-01] + - [4.693e-03 , 7.843e-01] + - [4.978e-03 , 7.502e-01] + - [5.231e-03 , 7.502e-01] + - [5.481e-03 , 7.327e-01] + - [5.730e-03 , 6.862e-01] + - [6.230e-03 , 6.862e-01] + - [6.486e-03 , 6.504e-01] + - [7.484e-03 , 5.758e-01] + - [7.735e-03 , 5.578e-01] + - [8.230e-03 , 5.185e-01] + - [8.983e-03 , 4.648e-01] + - [9.234e-03 , 4.438e-01] + - [9.482e-03 , 4.319e-01] + - [9.734e-03 , 4.080e-01] + - [9.983e-03 , 3.927e-01] + - [1.023e-02 , 3.721e-01] + - [1.048e-02 , 3.511e-01] + - [1.073e-02 , 3.391e-01] + - [1.098e-02 , 3.212e-01] + - [1.123e-02 , 3.043e-01] + - [1.148e-02 , 2.826e-01] + - [1.173e-02 , 2.630e-01] + - [1.198e-02 , 2.441e-01] + - [1.223e-02 , 2.257e-01] + - [1.248e-02 , 2.065e-01] + - [1.273e-02 , 1.880e-01] + - [1.348e-02 , 1.515e-01] + - [1.373e-02 , 1.408e-01] + - [1.398e-02 , 1.303e-01] + - [1.423e-02 , 1.205e-01] + - [1.448e-02 , 1.139e-01] + - [1.473e-02 , 1.105e-01] + - [1.523e-02 , 1.081e-01] + - [1.646e-02 , 1.062e-01] + - [1.674e-02 , 1.062e-01] + - [1.699e-02 , 1.065e-01] + - [1.747e-02 , 1.075e-01] + - [1.848e-02 , 1.087e-01] + - [1.874e-02 , 1.093e-01] + - [1.899e-02 , 1.091e-01] + - [2.025e-02 , 1.099e-01] + - [2.178e-02 , 1.102e-01] + - [2.449e-02 , 1.127e-01] + - [2.573e-02 , 1.133e-01] + - [2.598e-02 , 1.137e-01] + - [2.776e-02 , 1.138e-01] + - [2.974e-02 , 1.148e-01] + - [2.999e-02 , 1.149e-01] + - [3.124e-02 , 1.161e-01] + - [3.149e-02 , 1.160e-01] + - [3.274e-02 , 1.164e-01] + - [3.299e-02 , 1.167e-01] + - [3.425e-02 , 1.167e-01] + - [3.952e-02 , 1.191e-01] + - [4.209e-02 , 1.195e-01] + - [4.482e-02 , 1.209e-01] + - [4.799e-02 , 1.217e-01] + - [5.567e-02 , 1.241e-01] + - [6.122e-02 , 1.252e-01] + - [6.173e-02 , 1.260e-01] + - [6.225e-02 , 1.258e-01] + - [7.577e-02 , 1.292e-01] + - [9.593e-02 , 1.336e-01] + - [1.152e-01 , 1.375e-01] + - [1.155e-01 , 1.378e-01] + - [1.157e-01 , 1.375e-01] + - [1.265e-01 , 1.397e-01] + - [1.555e-01 , 1.446e-01] + - [1.854e-01 , 1.490e-01] + - [2.347e-01 , 1.553e-01] + - [2.350e-01 , 1.549e-01] + - [2.357e-01 , 1.556e-01] + - [2.360e-01 , 1.552e-01] + - [2.505e-01 , 1.567e-01] + - [2.520e-01 , 1.564e-01] + - [2.535e-01 , 1.571e-01] + - [2.537e-01 , 1.570e-01] + - [2.540e-01 , 1.576e-01] + - [2.545e-01 , 1.570e-01] + - [2.560e-01 , 1.576e-01] + - [2.594e-01 , 1.576e-01] + - [2.863e-01 , 1.603e-01] + - [3.212e-01 , 1.637e-01] + - [4.129e-01 , 1.719e-01] + - [4.156e-01 , 1.718e-01] + - [4.260e-01 , 1.727e-01] + - [4.264e-01 , 1.734e-01] + - [4.267e-01 , 1.728e-01] \ No newline at end of file diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-9.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-9.yaml new file mode 100644 index 0000000..944969e --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.35_p_8-9.yaml @@ -0,0 +1,165 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 378.0 K + ignition-delay: + - 7.4 ms + pressure: + - 317.0 mbar + equivalence-ratio: 0.35 + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.12816 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18308 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.34438 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.34438 + ignition-type: + target: pressure + type: d/dt max + rcm-data: + compressed-pressure: + - 8 bar + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.551e-01] + - [3.262e-03 , 8.788e-01] + - [4.693e-03 , 7.843e-01] + - [4.978e-03 , 7.502e-01] + - [5.231e-03 , 7.502e-01] + - [5.481e-03 , 7.327e-01] + - [5.730e-03 , 6.862e-01] + - [6.230e-03 , 6.862e-01] + - [6.486e-03 , 6.504e-01] + - [7.484e-03 , 5.758e-01] + - [7.735e-03 , 5.578e-01] + - [8.230e-03 , 5.185e-01] + - [8.983e-03 , 4.648e-01] + - [9.234e-03 , 4.438e-01] + - [9.482e-03 , 4.319e-01] + - [9.734e-03 , 4.080e-01] + - [9.983e-03 , 3.927e-01] + - [1.023e-02 , 3.721e-01] + - [1.048e-02 , 3.511e-01] + - [1.073e-02 , 3.391e-01] + - [1.098e-02 , 3.212e-01] + - [1.123e-02 , 3.043e-01] + - [1.148e-02 , 2.826e-01] + - [1.173e-02 , 2.630e-01] + - [1.198e-02 , 2.441e-01] + - [1.223e-02 , 2.257e-01] + - [1.248e-02 , 2.065e-01] + - [1.273e-02 , 1.880e-01] + - [1.348e-02 , 1.515e-01] + - [1.373e-02 , 1.408e-01] + - [1.398e-02 , 1.303e-01] + - [1.423e-02 , 1.205e-01] + - [1.448e-02 , 1.139e-01] + - [1.473e-02 , 1.105e-01] + - [1.523e-02 , 1.081e-01] + - [1.646e-02 , 1.062e-01] + - [1.674e-02 , 1.062e-01] + - [1.699e-02 , 1.065e-01] + - [1.747e-02 , 1.075e-01] + - [1.848e-02 , 1.087e-01] + - [1.874e-02 , 1.093e-01] + - [1.899e-02 , 1.091e-01] + - [2.025e-02 , 1.099e-01] + - [2.178e-02 , 1.102e-01] + - [2.449e-02 , 1.127e-01] + - [2.573e-02 , 1.133e-01] + - [2.598e-02 , 1.137e-01] + - [2.776e-02 , 1.138e-01] + - [2.974e-02 , 1.148e-01] + - [2.999e-02 , 1.149e-01] + - [3.124e-02 , 1.161e-01] + - [3.149e-02 , 1.160e-01] + - [3.274e-02 , 1.164e-01] + - [3.299e-02 , 1.167e-01] + - [3.425e-02 , 1.167e-01] + - [3.952e-02 , 1.191e-01] + - [4.209e-02 , 1.195e-01] + - [4.482e-02 , 1.209e-01] + - [4.799e-02 , 1.217e-01] + - [5.567e-02 , 1.241e-01] + - [6.122e-02 , 1.252e-01] + - [6.173e-02 , 1.260e-01] + - [6.225e-02 , 1.258e-01] + - [7.577e-02 , 1.292e-01] + - [9.593e-02 , 1.336e-01] + - [1.152e-01 , 1.375e-01] + - [1.155e-01 , 1.378e-01] + - [1.157e-01 , 1.375e-01] + - [1.265e-01 , 1.397e-01] + - [1.555e-01 , 1.446e-01] + - [1.854e-01 , 1.490e-01] + - [2.347e-01 , 1.553e-01] + - [2.350e-01 , 1.549e-01] + - [2.357e-01 , 1.556e-01] + - [2.360e-01 , 1.552e-01] + - [2.505e-01 , 1.567e-01] + - [2.520e-01 , 1.564e-01] + - [2.535e-01 , 1.571e-01] + - [2.537e-01 , 1.570e-01] + - [2.540e-01 , 1.576e-01] + - [2.545e-01 , 1.570e-01] + - [2.560e-01 , 1.576e-01] + - [2.594e-01 , 1.576e-01] + - [2.863e-01 , 1.603e-01] + - [3.212e-01 , 1.637e-01] + - [4.129e-01 , 1.719e-01] + - [4.156e-01 , 1.718e-01] + - [4.260e-01 , 1.727e-01] + - [4.264e-01 , 1.734e-01] + - [4.267e-01 , 1.728e-01] \ No newline at end of file diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-1.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-1.yaml new file mode 100644 index 0000000..e91e9b0 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-1.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 350 K + ignition-delay: + - 88 ms + pressure: + - 607 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.886e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.543e-01] + - [3.496e-03 , 9.106e-01] + - [3.759e-03 , 8.944e-01] + - [3.998e-03 , 8.853e-01] + - [4.259e-03 , 8.700e-01] + - [4.496e-03 , 8.605e-01] + - [5.746e-03 , 7.813e-01] + - [5.993e-03 , 7.654e-01] + - [6.249e-03 , 7.446e-01] + - [6.745e-03 , 7.095e-01] + - [6.995e-03 , 6.910e-01] + - [7.495e-03 , 6.508e-01] + - [7.745e-03 , 6.316e-01] + - [8.242e-03 , 5.920e-01] + - [8.497e-03 , 5.716e-01] + - [8.746e-03 , 5.524e-01] + - [9.246e-03 , 5.120e-01] + - [9.494e-03 , 4.936e-01] + - [9.746e-03 , 4.739e-01] + - [1.024e-02 , 4.355e-01] + - [1.050e-02 , 4.158e-01] + - [1.074e-02 , 3.968e-01] + - [1.100e-02 , 3.769e-01] + - [1.124e-02 , 3.580e-01] + - [1.149e-02 , 3.381e-01] + - [1.174e-02 , 3.180e-01] + - [1.199e-02 , 2.978e-01] + - [1.224e-02 , 2.781e-01] + - [1.249e-02 , 2.580e-01] + - [1.274e-02 , 2.380e-01] + - [1.299e-02 , 2.180e-01] + - [1.349e-02 , 1.849e-01] + - [1.374e-02 , 1.728e-01] + - [1.399e-02 , 1.618e-01] + - [1.424e-02 , 1.510e-01] + - [1.449e-02 , 1.397e-01] + - [1.474e-02 , 1.287e-01] + - [1.499e-02 , 1.186e-01] + - [1.525e-02 , 1.122e-01] + - [1.550e-02 , 1.091e-01] + - [1.576e-02 , 1.077e-01] + - [1.601e-02 , 1.070e-01] + - [1.701e-02 , 1.050e-01] + - [1.724e-02 , 1.048e-01] + - [1.803e-02 , 1.060e-01] + - [1.880e-02 , 1.070e-01] + - [2.005e-02 , 1.079e-01] + - [2.101e-02 , 1.083e-01] + - [2.127e-02 , 1.082e-01] + - [2.275e-02 , 1.089e-01] + - [2.555e-02 , 1.109e-01] + - [2.658e-02 , 1.113e-01] + - [2.801e-02 , 1.115e-01] + - [2.949e-02 , 1.120e-01] + - [3.129e-02 , 1.130e-01] + - [3.263e-02 , 1.136e-01] + - [3.598e-02 , 1.143e-01] + - [3.828e-02 , 1.154e-01] + - [3.931e-02 , 1.157e-01] + - [4.198e-02 , 1.162e-01] + - [4.301e-02 , 1.166e-01] + - [4.586e-02 , 1.176e-01] + - [4.852e-02 , 1.182e-01] + - [5.187e-02 , 1.193e-01] + - [5.506e-02 , 1.200e-01] + - [5.858e-02 , 1.210e-01] + - [6.152e-02 , 1.216e-01] + - [6.487e-02 , 1.226e-01] + - [6.803e-02 , 1.232e-01] + - [7.140e-02 , 1.241e-01] + - [7.554e-02 , 1.250e-01] + - [7.859e-02 , 1.257e-01] + - [8.956e-02 , 1.280e-01] + - [9.990e-02 , 1.299e-01] + - [1.111e-01 , 1.318e-01] + - [1.171e-01 , 1.327e-01] + - [1.312e-01 , 1.348e-01] + - [1.511e-01 , 1.374e-01] + - [1.717e-01 , 1.399e-01] + - [1.917e-01 , 1.421e-01] + - [2.126e-01 , 1.442e-01] + - [2.389e-01 , 1.467e-01] + - [2.497e-01 , 1.476e-01] + - [2.704e-01 , 1.494e-01] + - [3.135e-01 , 1.532e-01] + - [3.433e-01 , 1.559e-01] + - [3.773e-01 , 1.589e-01] + - [4.106e-01 , 1.619e-01] + - [4.282e-01 , 1.634e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-10.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-10.yaml new file mode 100644 index 0000000..2121086 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-10.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 360 K + ignition-delay: + - 27.4 ms + pressure: + - 601 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.886e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.543e-01] + - [3.496e-03 , 9.106e-01] + - [3.759e-03 , 8.944e-01] + - [3.998e-03 , 8.853e-01] + - [4.259e-03 , 8.700e-01] + - [4.496e-03 , 8.605e-01] + - [5.746e-03 , 7.813e-01] + - [5.993e-03 , 7.654e-01] + - [6.249e-03 , 7.446e-01] + - [6.745e-03 , 7.095e-01] + - [6.995e-03 , 6.910e-01] + - [7.495e-03 , 6.508e-01] + - [7.745e-03 , 6.316e-01] + - [8.242e-03 , 5.920e-01] + - [8.497e-03 , 5.716e-01] + - [8.746e-03 , 5.524e-01] + - [9.246e-03 , 5.120e-01] + - [9.494e-03 , 4.936e-01] + - [9.746e-03 , 4.739e-01] + - [1.024e-02 , 4.355e-01] + - [1.050e-02 , 4.158e-01] + - [1.074e-02 , 3.968e-01] + - [1.100e-02 , 3.769e-01] + - [1.124e-02 , 3.580e-01] + - [1.149e-02 , 3.381e-01] + - [1.174e-02 , 3.180e-01] + - [1.199e-02 , 2.978e-01] + - [1.224e-02 , 2.781e-01] + - [1.249e-02 , 2.580e-01] + - [1.274e-02 , 2.380e-01] + - [1.299e-02 , 2.180e-01] + - [1.349e-02 , 1.849e-01] + - [1.374e-02 , 1.728e-01] + - [1.399e-02 , 1.618e-01] + - [1.424e-02 , 1.510e-01] + - [1.449e-02 , 1.397e-01] + - [1.474e-02 , 1.287e-01] + - [1.499e-02 , 1.186e-01] + - [1.525e-02 , 1.122e-01] + - [1.550e-02 , 1.091e-01] + - [1.576e-02 , 1.077e-01] + - [1.601e-02 , 1.070e-01] + - [1.701e-02 , 1.050e-01] + - [1.724e-02 , 1.048e-01] + - [1.803e-02 , 1.060e-01] + - [1.880e-02 , 1.070e-01] + - [2.005e-02 , 1.079e-01] + - [2.101e-02 , 1.083e-01] + - [2.127e-02 , 1.082e-01] + - [2.275e-02 , 1.089e-01] + - [2.555e-02 , 1.109e-01] + - [2.658e-02 , 1.113e-01] + - [2.801e-02 , 1.115e-01] + - [2.949e-02 , 1.120e-01] + - [3.129e-02 , 1.130e-01] + - [3.263e-02 , 1.136e-01] + - [3.598e-02 , 1.143e-01] + - [3.828e-02 , 1.154e-01] + - [3.931e-02 , 1.157e-01] + - [4.198e-02 , 1.162e-01] + - [4.301e-02 , 1.166e-01] + - [4.586e-02 , 1.176e-01] + - [4.852e-02 , 1.182e-01] + - [5.187e-02 , 1.193e-01] + - [5.506e-02 , 1.200e-01] + - [5.858e-02 , 1.210e-01] + - [6.152e-02 , 1.216e-01] + - [6.487e-02 , 1.226e-01] + - [6.803e-02 , 1.232e-01] + - [7.140e-02 , 1.241e-01] + - [7.554e-02 , 1.250e-01] + - [7.859e-02 , 1.257e-01] + - [8.956e-02 , 1.280e-01] + - [9.990e-02 , 1.299e-01] + - [1.111e-01 , 1.318e-01] + - [1.171e-01 , 1.327e-01] + - [1.312e-01 , 1.348e-01] + - [1.511e-01 , 1.374e-01] + - [1.717e-01 , 1.399e-01] + - [1.917e-01 , 1.421e-01] + - [2.126e-01 , 1.442e-01] + - [2.389e-01 , 1.467e-01] + - [2.497e-01 , 1.476e-01] + - [2.704e-01 , 1.494e-01] + - [3.135e-01 , 1.532e-01] + - [3.433e-01 , 1.559e-01] + - [3.773e-01 , 1.589e-01] + - [4.106e-01 , 1.619e-01] + - [4.282e-01 , 1.634e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-11.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-11.yaml new file mode 100644 index 0000000..ee1779d --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-11.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 360 K + ignition-delay: + - 25.4 ms + pressure: + - 607 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.886e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.543e-01] + - [3.496e-03 , 9.106e-01] + - [3.759e-03 , 8.944e-01] + - [3.998e-03 , 8.853e-01] + - [4.259e-03 , 8.700e-01] + - [4.496e-03 , 8.605e-01] + - [5.746e-03 , 7.813e-01] + - [5.993e-03 , 7.654e-01] + - [6.249e-03 , 7.446e-01] + - [6.745e-03 , 7.095e-01] + - [6.995e-03 , 6.910e-01] + - [7.495e-03 , 6.508e-01] + - [7.745e-03 , 6.316e-01] + - [8.242e-03 , 5.920e-01] + - [8.497e-03 , 5.716e-01] + - [8.746e-03 , 5.524e-01] + - [9.246e-03 , 5.120e-01] + - [9.494e-03 , 4.936e-01] + - [9.746e-03 , 4.739e-01] + - [1.024e-02 , 4.355e-01] + - [1.050e-02 , 4.158e-01] + - [1.074e-02 , 3.968e-01] + - [1.100e-02 , 3.769e-01] + - [1.124e-02 , 3.580e-01] + - [1.149e-02 , 3.381e-01] + - [1.174e-02 , 3.180e-01] + - [1.199e-02 , 2.978e-01] + - [1.224e-02 , 2.781e-01] + - [1.249e-02 , 2.580e-01] + - [1.274e-02 , 2.380e-01] + - [1.299e-02 , 2.180e-01] + - [1.349e-02 , 1.849e-01] + - [1.374e-02 , 1.728e-01] + - [1.399e-02 , 1.618e-01] + - [1.424e-02 , 1.510e-01] + - [1.449e-02 , 1.397e-01] + - [1.474e-02 , 1.287e-01] + - [1.499e-02 , 1.186e-01] + - [1.525e-02 , 1.122e-01] + - [1.550e-02 , 1.091e-01] + - [1.576e-02 , 1.077e-01] + - [1.601e-02 , 1.070e-01] + - [1.701e-02 , 1.050e-01] + - [1.724e-02 , 1.048e-01] + - [1.803e-02 , 1.060e-01] + - [1.880e-02 , 1.070e-01] + - [2.005e-02 , 1.079e-01] + - [2.101e-02 , 1.083e-01] + - [2.127e-02 , 1.082e-01] + - [2.275e-02 , 1.089e-01] + - [2.555e-02 , 1.109e-01] + - [2.658e-02 , 1.113e-01] + - [2.801e-02 , 1.115e-01] + - [2.949e-02 , 1.120e-01] + - [3.129e-02 , 1.130e-01] + - [3.263e-02 , 1.136e-01] + - [3.598e-02 , 1.143e-01] + - [3.828e-02 , 1.154e-01] + - [3.931e-02 , 1.157e-01] + - [4.198e-02 , 1.162e-01] + - [4.301e-02 , 1.166e-01] + - [4.586e-02 , 1.176e-01] + - [4.852e-02 , 1.182e-01] + - [5.187e-02 , 1.193e-01] + - [5.506e-02 , 1.200e-01] + - [5.858e-02 , 1.210e-01] + - [6.152e-02 , 1.216e-01] + - [6.487e-02 , 1.226e-01] + - [6.803e-02 , 1.232e-01] + - [7.140e-02 , 1.241e-01] + - [7.554e-02 , 1.250e-01] + - [7.859e-02 , 1.257e-01] + - [8.956e-02 , 1.280e-01] + - [9.990e-02 , 1.299e-01] + - [1.111e-01 , 1.318e-01] + - [1.171e-01 , 1.327e-01] + - [1.312e-01 , 1.348e-01] + - [1.511e-01 , 1.374e-01] + - [1.717e-01 , 1.399e-01] + - [1.917e-01 , 1.421e-01] + - [2.126e-01 , 1.442e-01] + - [2.389e-01 , 1.467e-01] + - [2.497e-01 , 1.476e-01] + - [2.704e-01 , 1.494e-01] + - [3.135e-01 , 1.532e-01] + - [3.433e-01 , 1.559e-01] + - [3.773e-01 , 1.589e-01] + - [4.106e-01 , 1.619e-01] + - [4.282e-01 , 1.634e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-12.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-12.yaml new file mode 100644 index 0000000..53de610 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-12.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 365 K + ignition-delay: + - 9.7 ms + pressure: + - 610 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.886e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.543e-01] + - [3.496e-03 , 9.106e-01] + - [3.759e-03 , 8.944e-01] + - [3.998e-03 , 8.853e-01] + - [4.259e-03 , 8.700e-01] + - [4.496e-03 , 8.605e-01] + - [5.746e-03 , 7.813e-01] + - [5.993e-03 , 7.654e-01] + - [6.249e-03 , 7.446e-01] + - [6.745e-03 , 7.095e-01] + - [6.995e-03 , 6.910e-01] + - [7.495e-03 , 6.508e-01] + - [7.745e-03 , 6.316e-01] + - [8.242e-03 , 5.920e-01] + - [8.497e-03 , 5.716e-01] + - [8.746e-03 , 5.524e-01] + - [9.246e-03 , 5.120e-01] + - [9.494e-03 , 4.936e-01] + - [9.746e-03 , 4.739e-01] + - [1.024e-02 , 4.355e-01] + - [1.050e-02 , 4.158e-01] + - [1.074e-02 , 3.968e-01] + - [1.100e-02 , 3.769e-01] + - [1.124e-02 , 3.580e-01] + - [1.149e-02 , 3.381e-01] + - [1.174e-02 , 3.180e-01] + - [1.199e-02 , 2.978e-01] + - [1.224e-02 , 2.781e-01] + - [1.249e-02 , 2.580e-01] + - [1.274e-02 , 2.380e-01] + - [1.299e-02 , 2.180e-01] + - [1.349e-02 , 1.849e-01] + - [1.374e-02 , 1.728e-01] + - [1.399e-02 , 1.618e-01] + - [1.424e-02 , 1.510e-01] + - [1.449e-02 , 1.397e-01] + - [1.474e-02 , 1.287e-01] + - [1.499e-02 , 1.186e-01] + - [1.525e-02 , 1.122e-01] + - [1.550e-02 , 1.091e-01] + - [1.576e-02 , 1.077e-01] + - [1.601e-02 , 1.070e-01] + - [1.701e-02 , 1.050e-01] + - [1.724e-02 , 1.048e-01] + - [1.803e-02 , 1.060e-01] + - [1.880e-02 , 1.070e-01] + - [2.005e-02 , 1.079e-01] + - [2.101e-02 , 1.083e-01] + - [2.127e-02 , 1.082e-01] + - [2.275e-02 , 1.089e-01] + - [2.555e-02 , 1.109e-01] + - [2.658e-02 , 1.113e-01] + - [2.801e-02 , 1.115e-01] + - [2.949e-02 , 1.120e-01] + - [3.129e-02 , 1.130e-01] + - [3.263e-02 , 1.136e-01] + - [3.598e-02 , 1.143e-01] + - [3.828e-02 , 1.154e-01] + - [3.931e-02 , 1.157e-01] + - [4.198e-02 , 1.162e-01] + - [4.301e-02 , 1.166e-01] + - [4.586e-02 , 1.176e-01] + - [4.852e-02 , 1.182e-01] + - [5.187e-02 , 1.193e-01] + - [5.506e-02 , 1.200e-01] + - [5.858e-02 , 1.210e-01] + - [6.152e-02 , 1.216e-01] + - [6.487e-02 , 1.226e-01] + - [6.803e-02 , 1.232e-01] + - [7.140e-02 , 1.241e-01] + - [7.554e-02 , 1.250e-01] + - [7.859e-02 , 1.257e-01] + - [8.956e-02 , 1.280e-01] + - [9.990e-02 , 1.299e-01] + - [1.111e-01 , 1.318e-01] + - [1.171e-01 , 1.327e-01] + - [1.312e-01 , 1.348e-01] + - [1.511e-01 , 1.374e-01] + - [1.717e-01 , 1.399e-01] + - [1.917e-01 , 1.421e-01] + - [2.126e-01 , 1.442e-01] + - [2.389e-01 , 1.467e-01] + - [2.497e-01 , 1.476e-01] + - [2.704e-01 , 1.494e-01] + - [3.135e-01 , 1.532e-01] + - [3.433e-01 , 1.559e-01] + - [3.773e-01 , 1.589e-01] + - [4.106e-01 , 1.619e-01] + - [4.282e-01 , 1.634e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-13.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-13.yaml new file mode 100644 index 0000000..a829d00 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-13.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 365 K + ignition-delay: + - 8.7 ms + pressure: + - 610 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.886e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.543e-01] + - [3.496e-03 , 9.106e-01] + - [3.759e-03 , 8.944e-01] + - [3.998e-03 , 8.853e-01] + - [4.259e-03 , 8.700e-01] + - [4.496e-03 , 8.605e-01] + - [5.746e-03 , 7.813e-01] + - [5.993e-03 , 7.654e-01] + - [6.249e-03 , 7.446e-01] + - [6.745e-03 , 7.095e-01] + - [6.995e-03 , 6.910e-01] + - [7.495e-03 , 6.508e-01] + - [7.745e-03 , 6.316e-01] + - [8.242e-03 , 5.920e-01] + - [8.497e-03 , 5.716e-01] + - [8.746e-03 , 5.524e-01] + - [9.246e-03 , 5.120e-01] + - [9.494e-03 , 4.936e-01] + - [9.746e-03 , 4.739e-01] + - [1.024e-02 , 4.355e-01] + - [1.050e-02 , 4.158e-01] + - [1.074e-02 , 3.968e-01] + - [1.100e-02 , 3.769e-01] + - [1.124e-02 , 3.580e-01] + - [1.149e-02 , 3.381e-01] + - [1.174e-02 , 3.180e-01] + - [1.199e-02 , 2.978e-01] + - [1.224e-02 , 2.781e-01] + - [1.249e-02 , 2.580e-01] + - [1.274e-02 , 2.380e-01] + - [1.299e-02 , 2.180e-01] + - [1.349e-02 , 1.849e-01] + - [1.374e-02 , 1.728e-01] + - [1.399e-02 , 1.618e-01] + - [1.424e-02 , 1.510e-01] + - [1.449e-02 , 1.397e-01] + - [1.474e-02 , 1.287e-01] + - [1.499e-02 , 1.186e-01] + - [1.525e-02 , 1.122e-01] + - [1.550e-02 , 1.091e-01] + - [1.576e-02 , 1.077e-01] + - [1.601e-02 , 1.070e-01] + - [1.701e-02 , 1.050e-01] + - [1.724e-02 , 1.048e-01] + - [1.803e-02 , 1.060e-01] + - [1.880e-02 , 1.070e-01] + - [2.005e-02 , 1.079e-01] + - [2.101e-02 , 1.083e-01] + - [2.127e-02 , 1.082e-01] + - [2.275e-02 , 1.089e-01] + - [2.555e-02 , 1.109e-01] + - [2.658e-02 , 1.113e-01] + - [2.801e-02 , 1.115e-01] + - [2.949e-02 , 1.120e-01] + - [3.129e-02 , 1.130e-01] + - [3.263e-02 , 1.136e-01] + - [3.598e-02 , 1.143e-01] + - [3.828e-02 , 1.154e-01] + - [3.931e-02 , 1.157e-01] + - [4.198e-02 , 1.162e-01] + - [4.301e-02 , 1.166e-01] + - [4.586e-02 , 1.176e-01] + - [4.852e-02 , 1.182e-01] + - [5.187e-02 , 1.193e-01] + - [5.506e-02 , 1.200e-01] + - [5.858e-02 , 1.210e-01] + - [6.152e-02 , 1.216e-01] + - [6.487e-02 , 1.226e-01] + - [6.803e-02 , 1.232e-01] + - [7.140e-02 , 1.241e-01] + - [7.554e-02 , 1.250e-01] + - [7.859e-02 , 1.257e-01] + - [8.956e-02 , 1.280e-01] + - [9.990e-02 , 1.299e-01] + - [1.111e-01 , 1.318e-01] + - [1.171e-01 , 1.327e-01] + - [1.312e-01 , 1.348e-01] + - [1.511e-01 , 1.374e-01] + - [1.717e-01 , 1.399e-01] + - [1.917e-01 , 1.421e-01] + - [2.126e-01 , 1.442e-01] + - [2.389e-01 , 1.467e-01] + - [2.497e-01 , 1.476e-01] + - [2.704e-01 , 1.494e-01] + - [3.135e-01 , 1.532e-01] + - [3.433e-01 , 1.559e-01] + - [3.773e-01 , 1.589e-01] + - [4.106e-01 , 1.619e-01] + - [4.282e-01 , 1.634e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-14.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-14.yaml new file mode 100644 index 0000000..fc8cc49 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-14.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 370 K + ignition-delay: + - 601 ms + pressure: + - 614 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.886e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.543e-01] + - [3.496e-03 , 9.106e-01] + - [3.759e-03 , 8.944e-01] + - [3.998e-03 , 8.853e-01] + - [4.259e-03 , 8.700e-01] + - [4.496e-03 , 8.605e-01] + - [5.746e-03 , 7.813e-01] + - [5.993e-03 , 7.654e-01] + - [6.249e-03 , 7.446e-01] + - [6.745e-03 , 7.095e-01] + - [6.995e-03 , 6.910e-01] + - [7.495e-03 , 6.508e-01] + - [7.745e-03 , 6.316e-01] + - [8.242e-03 , 5.920e-01] + - [8.497e-03 , 5.716e-01] + - [8.746e-03 , 5.524e-01] + - [9.246e-03 , 5.120e-01] + - [9.494e-03 , 4.936e-01] + - [9.746e-03 , 4.739e-01] + - [1.024e-02 , 4.355e-01] + - [1.050e-02 , 4.158e-01] + - [1.074e-02 , 3.968e-01] + - [1.100e-02 , 3.769e-01] + - [1.124e-02 , 3.580e-01] + - [1.149e-02 , 3.381e-01] + - [1.174e-02 , 3.180e-01] + - [1.199e-02 , 2.978e-01] + - [1.224e-02 , 2.781e-01] + - [1.249e-02 , 2.580e-01] + - [1.274e-02 , 2.380e-01] + - [1.299e-02 , 2.180e-01] + - [1.349e-02 , 1.849e-01] + - [1.374e-02 , 1.728e-01] + - [1.399e-02 , 1.618e-01] + - [1.424e-02 , 1.510e-01] + - [1.449e-02 , 1.397e-01] + - [1.474e-02 , 1.287e-01] + - [1.499e-02 , 1.186e-01] + - [1.525e-02 , 1.122e-01] + - [1.550e-02 , 1.091e-01] + - [1.576e-02 , 1.077e-01] + - [1.601e-02 , 1.070e-01] + - [1.701e-02 , 1.050e-01] + - [1.724e-02 , 1.048e-01] + - [1.803e-02 , 1.060e-01] + - [1.880e-02 , 1.070e-01] + - [2.005e-02 , 1.079e-01] + - [2.101e-02 , 1.083e-01] + - [2.127e-02 , 1.082e-01] + - [2.275e-02 , 1.089e-01] + - [2.555e-02 , 1.109e-01] + - [2.658e-02 , 1.113e-01] + - [2.801e-02 , 1.115e-01] + - [2.949e-02 , 1.120e-01] + - [3.129e-02 , 1.130e-01] + - [3.263e-02 , 1.136e-01] + - [3.598e-02 , 1.143e-01] + - [3.828e-02 , 1.154e-01] + - [3.931e-02 , 1.157e-01] + - [4.198e-02 , 1.162e-01] + - [4.301e-02 , 1.166e-01] + - [4.586e-02 , 1.176e-01] + - [4.852e-02 , 1.182e-01] + - [5.187e-02 , 1.193e-01] + - [5.506e-02 , 1.200e-01] + - [5.858e-02 , 1.210e-01] + - [6.152e-02 , 1.216e-01] + - [6.487e-02 , 1.226e-01] + - [6.803e-02 , 1.232e-01] + - [7.140e-02 , 1.241e-01] + - [7.554e-02 , 1.250e-01] + - [7.859e-02 , 1.257e-01] + - [8.956e-02 , 1.280e-01] + - [9.990e-02 , 1.299e-01] + - [1.111e-01 , 1.318e-01] + - [1.171e-01 , 1.327e-01] + - [1.312e-01 , 1.348e-01] + - [1.511e-01 , 1.374e-01] + - [1.717e-01 , 1.399e-01] + - [1.917e-01 , 1.421e-01] + - [2.126e-01 , 1.442e-01] + - [2.389e-01 , 1.467e-01] + - [2.497e-01 , 1.476e-01] + - [2.704e-01 , 1.494e-01] + - [3.135e-01 , 1.532e-01] + - [3.433e-01 , 1.559e-01] + - [3.773e-01 , 1.589e-01] + - [4.106e-01 , 1.619e-01] + - [4.282e-01 , 1.634e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-15.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-15.yaml new file mode 100644 index 0000000..c751325 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-15.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 370 K + ignition-delay: + - 6.1 ms + pressure: + - 613 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.886e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.543e-01] + - [3.496e-03 , 9.106e-01] + - [3.759e-03 , 8.944e-01] + - [3.998e-03 , 8.853e-01] + - [4.259e-03 , 8.700e-01] + - [4.496e-03 , 8.605e-01] + - [5.746e-03 , 7.813e-01] + - [5.993e-03 , 7.654e-01] + - [6.249e-03 , 7.446e-01] + - [6.745e-03 , 7.095e-01] + - [6.995e-03 , 6.910e-01] + - [7.495e-03 , 6.508e-01] + - [7.745e-03 , 6.316e-01] + - [8.242e-03 , 5.920e-01] + - [8.497e-03 , 5.716e-01] + - [8.746e-03 , 5.524e-01] + - [9.246e-03 , 5.120e-01] + - [9.494e-03 , 4.936e-01] + - [9.746e-03 , 4.739e-01] + - [1.024e-02 , 4.355e-01] + - [1.050e-02 , 4.158e-01] + - [1.074e-02 , 3.968e-01] + - [1.100e-02 , 3.769e-01] + - [1.124e-02 , 3.580e-01] + - [1.149e-02 , 3.381e-01] + - [1.174e-02 , 3.180e-01] + - [1.199e-02 , 2.978e-01] + - [1.224e-02 , 2.781e-01] + - [1.249e-02 , 2.580e-01] + - [1.274e-02 , 2.380e-01] + - [1.299e-02 , 2.180e-01] + - [1.349e-02 , 1.849e-01] + - [1.374e-02 , 1.728e-01] + - [1.399e-02 , 1.618e-01] + - [1.424e-02 , 1.510e-01] + - [1.449e-02 , 1.397e-01] + - [1.474e-02 , 1.287e-01] + - [1.499e-02 , 1.186e-01] + - [1.525e-02 , 1.122e-01] + - [1.550e-02 , 1.091e-01] + - [1.576e-02 , 1.077e-01] + - [1.601e-02 , 1.070e-01] + - [1.701e-02 , 1.050e-01] + - [1.724e-02 , 1.048e-01] + - [1.803e-02 , 1.060e-01] + - [1.880e-02 , 1.070e-01] + - [2.005e-02 , 1.079e-01] + - [2.101e-02 , 1.083e-01] + - [2.127e-02 , 1.082e-01] + - [2.275e-02 , 1.089e-01] + - [2.555e-02 , 1.109e-01] + - [2.658e-02 , 1.113e-01] + - [2.801e-02 , 1.115e-01] + - [2.949e-02 , 1.120e-01] + - [3.129e-02 , 1.130e-01] + - [3.263e-02 , 1.136e-01] + - [3.598e-02 , 1.143e-01] + - [3.828e-02 , 1.154e-01] + - [3.931e-02 , 1.157e-01] + - [4.198e-02 , 1.162e-01] + - [4.301e-02 , 1.166e-01] + - [4.586e-02 , 1.176e-01] + - [4.852e-02 , 1.182e-01] + - [5.187e-02 , 1.193e-01] + - [5.506e-02 , 1.200e-01] + - [5.858e-02 , 1.210e-01] + - [6.152e-02 , 1.216e-01] + - [6.487e-02 , 1.226e-01] + - [6.803e-02 , 1.232e-01] + - [7.140e-02 , 1.241e-01] + - [7.554e-02 , 1.250e-01] + - [7.859e-02 , 1.257e-01] + - [8.956e-02 , 1.280e-01] + - [9.990e-02 , 1.299e-01] + - [1.111e-01 , 1.318e-01] + - [1.171e-01 , 1.327e-01] + - [1.312e-01 , 1.348e-01] + - [1.511e-01 , 1.374e-01] + - [1.717e-01 , 1.399e-01] + - [1.917e-01 , 1.421e-01] + - [2.126e-01 , 1.442e-01] + - [2.389e-01 , 1.467e-01] + - [2.497e-01 , 1.476e-01] + - [2.704e-01 , 1.494e-01] + - [3.135e-01 , 1.532e-01] + - [3.433e-01 , 1.559e-01] + - [3.773e-01 , 1.589e-01] + - [4.106e-01 , 1.619e-01] + - [4.282e-01 , 1.634e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-2.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-2.yaml new file mode 100644 index 0000000..4f813e9 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-2.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 350 K + ignition-delay: + - 102.4 ms + pressure: + - 605 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.886e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.543e-01] + - [3.496e-03 , 9.106e-01] + - [3.759e-03 , 8.944e-01] + - [3.998e-03 , 8.853e-01] + - [4.259e-03 , 8.700e-01] + - [4.496e-03 , 8.605e-01] + - [5.746e-03 , 7.813e-01] + - [5.993e-03 , 7.654e-01] + - [6.249e-03 , 7.446e-01] + - [6.745e-03 , 7.095e-01] + - [6.995e-03 , 6.910e-01] + - [7.495e-03 , 6.508e-01] + - [7.745e-03 , 6.316e-01] + - [8.242e-03 , 5.920e-01] + - [8.497e-03 , 5.716e-01] + - [8.746e-03 , 5.524e-01] + - [9.246e-03 , 5.120e-01] + - [9.494e-03 , 4.936e-01] + - [9.746e-03 , 4.739e-01] + - [1.024e-02 , 4.355e-01] + - [1.050e-02 , 4.158e-01] + - [1.074e-02 , 3.968e-01] + - [1.100e-02 , 3.769e-01] + - [1.124e-02 , 3.580e-01] + - [1.149e-02 , 3.381e-01] + - [1.174e-02 , 3.180e-01] + - [1.199e-02 , 2.978e-01] + - [1.224e-02 , 2.781e-01] + - [1.249e-02 , 2.580e-01] + - [1.274e-02 , 2.380e-01] + - [1.299e-02 , 2.180e-01] + - [1.349e-02 , 1.849e-01] + - [1.374e-02 , 1.728e-01] + - [1.399e-02 , 1.618e-01] + - [1.424e-02 , 1.510e-01] + - [1.449e-02 , 1.397e-01] + - [1.474e-02 , 1.287e-01] + - [1.499e-02 , 1.186e-01] + - [1.525e-02 , 1.122e-01] + - [1.550e-02 , 1.091e-01] + - [1.576e-02 , 1.077e-01] + - [1.601e-02 , 1.070e-01] + - [1.701e-02 , 1.050e-01] + - [1.724e-02 , 1.048e-01] + - [1.803e-02 , 1.060e-01] + - [1.880e-02 , 1.070e-01] + - [2.005e-02 , 1.079e-01] + - [2.101e-02 , 1.083e-01] + - [2.127e-02 , 1.082e-01] + - [2.275e-02 , 1.089e-01] + - [2.555e-02 , 1.109e-01] + - [2.658e-02 , 1.113e-01] + - [2.801e-02 , 1.115e-01] + - [2.949e-02 , 1.120e-01] + - [3.129e-02 , 1.130e-01] + - [3.263e-02 , 1.136e-01] + - [3.598e-02 , 1.143e-01] + - [3.828e-02 , 1.154e-01] + - [3.931e-02 , 1.157e-01] + - [4.198e-02 , 1.162e-01] + - [4.301e-02 , 1.166e-01] + - [4.586e-02 , 1.176e-01] + - [4.852e-02 , 1.182e-01] + - [5.187e-02 , 1.193e-01] + - [5.506e-02 , 1.200e-01] + - [5.858e-02 , 1.210e-01] + - [6.152e-02 , 1.216e-01] + - [6.487e-02 , 1.226e-01] + - [6.803e-02 , 1.232e-01] + - [7.140e-02 , 1.241e-01] + - [7.554e-02 , 1.250e-01] + - [7.859e-02 , 1.257e-01] + - [8.956e-02 , 1.280e-01] + - [9.990e-02 , 1.299e-01] + - [1.111e-01 , 1.318e-01] + - [1.171e-01 , 1.327e-01] + - [1.312e-01 , 1.348e-01] + - [1.511e-01 , 1.374e-01] + - [1.717e-01 , 1.399e-01] + - [1.917e-01 , 1.421e-01] + - [2.126e-01 , 1.442e-01] + - [2.389e-01 , 1.467e-01] + - [2.497e-01 , 1.476e-01] + - [2.704e-01 , 1.494e-01] + - [3.135e-01 , 1.532e-01] + - [3.433e-01 , 1.559e-01] + - [3.773e-01 , 1.589e-01] + - [4.106e-01 , 1.619e-01] + - [4.282e-01 , 1.634e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-3.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-3.yaml new file mode 100644 index 0000000..8151ceb --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-3.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 350 K + ignition-delay: + - 98 ms + pressure: + - 604 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.886e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.543e-01] + - [3.496e-03 , 9.106e-01] + - [3.759e-03 , 8.944e-01] + - [3.998e-03 , 8.853e-01] + - [4.259e-03 , 8.700e-01] + - [4.496e-03 , 8.605e-01] + - [5.746e-03 , 7.813e-01] + - [5.993e-03 , 7.654e-01] + - [6.249e-03 , 7.446e-01] + - [6.745e-03 , 7.095e-01] + - [6.995e-03 , 6.910e-01] + - [7.495e-03 , 6.508e-01] + - [7.745e-03 , 6.316e-01] + - [8.242e-03 , 5.920e-01] + - [8.497e-03 , 5.716e-01] + - [8.746e-03 , 5.524e-01] + - [9.246e-03 , 5.120e-01] + - [9.494e-03 , 4.936e-01] + - [9.746e-03 , 4.739e-01] + - [1.024e-02 , 4.355e-01] + - [1.050e-02 , 4.158e-01] + - [1.074e-02 , 3.968e-01] + - [1.100e-02 , 3.769e-01] + - [1.124e-02 , 3.580e-01] + - [1.149e-02 , 3.381e-01] + - [1.174e-02 , 3.180e-01] + - [1.199e-02 , 2.978e-01] + - [1.224e-02 , 2.781e-01] + - [1.249e-02 , 2.580e-01] + - [1.274e-02 , 2.380e-01] + - [1.299e-02 , 2.180e-01] + - [1.349e-02 , 1.849e-01] + - [1.374e-02 , 1.728e-01] + - [1.399e-02 , 1.618e-01] + - [1.424e-02 , 1.510e-01] + - [1.449e-02 , 1.397e-01] + - [1.474e-02 , 1.287e-01] + - [1.499e-02 , 1.186e-01] + - [1.525e-02 , 1.122e-01] + - [1.550e-02 , 1.091e-01] + - [1.576e-02 , 1.077e-01] + - [1.601e-02 , 1.070e-01] + - [1.701e-02 , 1.050e-01] + - [1.724e-02 , 1.048e-01] + - [1.803e-02 , 1.060e-01] + - [1.880e-02 , 1.070e-01] + - [2.005e-02 , 1.079e-01] + - [2.101e-02 , 1.083e-01] + - [2.127e-02 , 1.082e-01] + - [2.275e-02 , 1.089e-01] + - [2.555e-02 , 1.109e-01] + - [2.658e-02 , 1.113e-01] + - [2.801e-02 , 1.115e-01] + - [2.949e-02 , 1.120e-01] + - [3.129e-02 , 1.130e-01] + - [3.263e-02 , 1.136e-01] + - [3.598e-02 , 1.143e-01] + - [3.828e-02 , 1.154e-01] + - [3.931e-02 , 1.157e-01] + - [4.198e-02 , 1.162e-01] + - [4.301e-02 , 1.166e-01] + - [4.586e-02 , 1.176e-01] + - [4.852e-02 , 1.182e-01] + - [5.187e-02 , 1.193e-01] + - [5.506e-02 , 1.200e-01] + - [5.858e-02 , 1.210e-01] + - [6.152e-02 , 1.216e-01] + - [6.487e-02 , 1.226e-01] + - [6.803e-02 , 1.232e-01] + - [7.140e-02 , 1.241e-01] + - [7.554e-02 , 1.250e-01] + - [7.859e-02 , 1.257e-01] + - [8.956e-02 , 1.280e-01] + - [9.990e-02 , 1.299e-01] + - [1.111e-01 , 1.318e-01] + - [1.171e-01 , 1.327e-01] + - [1.312e-01 , 1.348e-01] + - [1.511e-01 , 1.374e-01] + - [1.717e-01 , 1.399e-01] + - [1.917e-01 , 1.421e-01] + - [2.126e-01 , 1.442e-01] + - [2.389e-01 , 1.467e-01] + - [2.497e-01 , 1.476e-01] + - [2.704e-01 , 1.494e-01] + - [3.135e-01 , 1.532e-01] + - [3.433e-01 , 1.559e-01] + - [3.773e-01 , 1.589e-01] + - [4.106e-01 , 1.619e-01] + - [4.282e-01 , 1.634e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-4.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-4.yaml new file mode 100644 index 0000000..d259024 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-4.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 350 K + ignition-delay: + - 91 ms + pressure: + - 607 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.886e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.543e-01] + - [3.496e-03 , 9.106e-01] + - [3.759e-03 , 8.944e-01] + - [3.998e-03 , 8.853e-01] + - [4.259e-03 , 8.700e-01] + - [4.496e-03 , 8.605e-01] + - [5.746e-03 , 7.813e-01] + - [5.993e-03 , 7.654e-01] + - [6.249e-03 , 7.446e-01] + - [6.745e-03 , 7.095e-01] + - [6.995e-03 , 6.910e-01] + - [7.495e-03 , 6.508e-01] + - [7.745e-03 , 6.316e-01] + - [8.242e-03 , 5.920e-01] + - [8.497e-03 , 5.716e-01] + - [8.746e-03 , 5.524e-01] + - [9.246e-03 , 5.120e-01] + - [9.494e-03 , 4.936e-01] + - [9.746e-03 , 4.739e-01] + - [1.024e-02 , 4.355e-01] + - [1.050e-02 , 4.158e-01] + - [1.074e-02 , 3.968e-01] + - [1.100e-02 , 3.769e-01] + - [1.124e-02 , 3.580e-01] + - [1.149e-02 , 3.381e-01] + - [1.174e-02 , 3.180e-01] + - [1.199e-02 , 2.978e-01] + - [1.224e-02 , 2.781e-01] + - [1.249e-02 , 2.580e-01] + - [1.274e-02 , 2.380e-01] + - [1.299e-02 , 2.180e-01] + - [1.349e-02 , 1.849e-01] + - [1.374e-02 , 1.728e-01] + - [1.399e-02 , 1.618e-01] + - [1.424e-02 , 1.510e-01] + - [1.449e-02 , 1.397e-01] + - [1.474e-02 , 1.287e-01] + - [1.499e-02 , 1.186e-01] + - [1.525e-02 , 1.122e-01] + - [1.550e-02 , 1.091e-01] + - [1.576e-02 , 1.077e-01] + - [1.601e-02 , 1.070e-01] + - [1.701e-02 , 1.050e-01] + - [1.724e-02 , 1.048e-01] + - [1.803e-02 , 1.060e-01] + - [1.880e-02 , 1.070e-01] + - [2.005e-02 , 1.079e-01] + - [2.101e-02 , 1.083e-01] + - [2.127e-02 , 1.082e-01] + - [2.275e-02 , 1.089e-01] + - [2.555e-02 , 1.109e-01] + - [2.658e-02 , 1.113e-01] + - [2.801e-02 , 1.115e-01] + - [2.949e-02 , 1.120e-01] + - [3.129e-02 , 1.130e-01] + - [3.263e-02 , 1.136e-01] + - [3.598e-02 , 1.143e-01] + - [3.828e-02 , 1.154e-01] + - [3.931e-02 , 1.157e-01] + - [4.198e-02 , 1.162e-01] + - [4.301e-02 , 1.166e-01] + - [4.586e-02 , 1.176e-01] + - [4.852e-02 , 1.182e-01] + - [5.187e-02 , 1.193e-01] + - [5.506e-02 , 1.200e-01] + - [5.858e-02 , 1.210e-01] + - [6.152e-02 , 1.216e-01] + - [6.487e-02 , 1.226e-01] + - [6.803e-02 , 1.232e-01] + - [7.140e-02 , 1.241e-01] + - [7.554e-02 , 1.250e-01] + - [7.859e-02 , 1.257e-01] + - [8.956e-02 , 1.280e-01] + - [9.990e-02 , 1.299e-01] + - [1.111e-01 , 1.318e-01] + - [1.171e-01 , 1.327e-01] + - [1.312e-01 , 1.348e-01] + - [1.511e-01 , 1.374e-01] + - [1.717e-01 , 1.399e-01] + - [1.917e-01 , 1.421e-01] + - [2.126e-01 , 1.442e-01] + - [2.389e-01 , 1.467e-01] + - [2.497e-01 , 1.476e-01] + - [2.704e-01 , 1.494e-01] + - [3.135e-01 , 1.532e-01] + - [3.433e-01 , 1.559e-01] + - [3.773e-01 , 1.589e-01] + - [4.106e-01 , 1.619e-01] + - [4.282e-01 , 1.634e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-5.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-5.yaml new file mode 100644 index 0000000..0cacd2f --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-5.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 350 K + ignition-delay: + - 118.2 ms + pressure: + - 608 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.886e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.543e-01] + - [3.496e-03 , 9.106e-01] + - [3.759e-03 , 8.944e-01] + - [3.998e-03 , 8.853e-01] + - [4.259e-03 , 8.700e-01] + - [4.496e-03 , 8.605e-01] + - [5.746e-03 , 7.813e-01] + - [5.993e-03 , 7.654e-01] + - [6.249e-03 , 7.446e-01] + - [6.745e-03 , 7.095e-01] + - [6.995e-03 , 6.910e-01] + - [7.495e-03 , 6.508e-01] + - [7.745e-03 , 6.316e-01] + - [8.242e-03 , 5.920e-01] + - [8.497e-03 , 5.716e-01] + - [8.746e-03 , 5.524e-01] + - [9.246e-03 , 5.120e-01] + - [9.494e-03 , 4.936e-01] + - [9.746e-03 , 4.739e-01] + - [1.024e-02 , 4.355e-01] + - [1.050e-02 , 4.158e-01] + - [1.074e-02 , 3.968e-01] + - [1.100e-02 , 3.769e-01] + - [1.124e-02 , 3.580e-01] + - [1.149e-02 , 3.381e-01] + - [1.174e-02 , 3.180e-01] + - [1.199e-02 , 2.978e-01] + - [1.224e-02 , 2.781e-01] + - [1.249e-02 , 2.580e-01] + - [1.274e-02 , 2.380e-01] + - [1.299e-02 , 2.180e-01] + - [1.349e-02 , 1.849e-01] + - [1.374e-02 , 1.728e-01] + - [1.399e-02 , 1.618e-01] + - [1.424e-02 , 1.510e-01] + - [1.449e-02 , 1.397e-01] + - [1.474e-02 , 1.287e-01] + - [1.499e-02 , 1.186e-01] + - [1.525e-02 , 1.122e-01] + - [1.550e-02 , 1.091e-01] + - [1.576e-02 , 1.077e-01] + - [1.601e-02 , 1.070e-01] + - [1.701e-02 , 1.050e-01] + - [1.724e-02 , 1.048e-01] + - [1.803e-02 , 1.060e-01] + - [1.880e-02 , 1.070e-01] + - [2.005e-02 , 1.079e-01] + - [2.101e-02 , 1.083e-01] + - [2.127e-02 , 1.082e-01] + - [2.275e-02 , 1.089e-01] + - [2.555e-02 , 1.109e-01] + - [2.658e-02 , 1.113e-01] + - [2.801e-02 , 1.115e-01] + - [2.949e-02 , 1.120e-01] + - [3.129e-02 , 1.130e-01] + - [3.263e-02 , 1.136e-01] + - [3.598e-02 , 1.143e-01] + - [3.828e-02 , 1.154e-01] + - [3.931e-02 , 1.157e-01] + - [4.198e-02 , 1.162e-01] + - [4.301e-02 , 1.166e-01] + - [4.586e-02 , 1.176e-01] + - [4.852e-02 , 1.182e-01] + - [5.187e-02 , 1.193e-01] + - [5.506e-02 , 1.200e-01] + - [5.858e-02 , 1.210e-01] + - [6.152e-02 , 1.216e-01] + - [6.487e-02 , 1.226e-01] + - [6.803e-02 , 1.232e-01] + - [7.140e-02 , 1.241e-01] + - [7.554e-02 , 1.250e-01] + - [7.859e-02 , 1.257e-01] + - [8.956e-02 , 1.280e-01] + - [9.990e-02 , 1.299e-01] + - [1.111e-01 , 1.318e-01] + - [1.171e-01 , 1.327e-01] + - [1.312e-01 , 1.348e-01] + - [1.511e-01 , 1.374e-01] + - [1.717e-01 , 1.399e-01] + - [1.917e-01 , 1.421e-01] + - [2.126e-01 , 1.442e-01] + - [2.389e-01 , 1.467e-01] + - [2.497e-01 , 1.476e-01] + - [2.704e-01 , 1.494e-01] + - [3.135e-01 , 1.532e-01] + - [3.433e-01 , 1.559e-01] + - [3.773e-01 , 1.589e-01] + - [4.106e-01 , 1.619e-01] + - [4.282e-01 , 1.634e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-6.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-6.yaml new file mode 100644 index 0000000..fbcc1ba --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-6.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 355 K + ignition-delay: + - 38.4 ms + pressure: + - 601 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.886e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.543e-01] + - [3.496e-03 , 9.106e-01] + - [3.759e-03 , 8.944e-01] + - [3.998e-03 , 8.853e-01] + - [4.259e-03 , 8.700e-01] + - [4.496e-03 , 8.605e-01] + - [5.746e-03 , 7.813e-01] + - [5.993e-03 , 7.654e-01] + - [6.249e-03 , 7.446e-01] + - [6.745e-03 , 7.095e-01] + - [6.995e-03 , 6.910e-01] + - [7.495e-03 , 6.508e-01] + - [7.745e-03 , 6.316e-01] + - [8.242e-03 , 5.920e-01] + - [8.497e-03 , 5.716e-01] + - [8.746e-03 , 5.524e-01] + - [9.246e-03 , 5.120e-01] + - [9.494e-03 , 4.936e-01] + - [9.746e-03 , 4.739e-01] + - [1.024e-02 , 4.355e-01] + - [1.050e-02 , 4.158e-01] + - [1.074e-02 , 3.968e-01] + - [1.100e-02 , 3.769e-01] + - [1.124e-02 , 3.580e-01] + - [1.149e-02 , 3.381e-01] + - [1.174e-02 , 3.180e-01] + - [1.199e-02 , 2.978e-01] + - [1.224e-02 , 2.781e-01] + - [1.249e-02 , 2.580e-01] + - [1.274e-02 , 2.380e-01] + - [1.299e-02 , 2.180e-01] + - [1.349e-02 , 1.849e-01] + - [1.374e-02 , 1.728e-01] + - [1.399e-02 , 1.618e-01] + - [1.424e-02 , 1.510e-01] + - [1.449e-02 , 1.397e-01] + - [1.474e-02 , 1.287e-01] + - [1.499e-02 , 1.186e-01] + - [1.525e-02 , 1.122e-01] + - [1.550e-02 , 1.091e-01] + - [1.576e-02 , 1.077e-01] + - [1.601e-02 , 1.070e-01] + - [1.701e-02 , 1.050e-01] + - [1.724e-02 , 1.048e-01] + - [1.803e-02 , 1.060e-01] + - [1.880e-02 , 1.070e-01] + - [2.005e-02 , 1.079e-01] + - [2.101e-02 , 1.083e-01] + - [2.127e-02 , 1.082e-01] + - [2.275e-02 , 1.089e-01] + - [2.555e-02 , 1.109e-01] + - [2.658e-02 , 1.113e-01] + - [2.801e-02 , 1.115e-01] + - [2.949e-02 , 1.120e-01] + - [3.129e-02 , 1.130e-01] + - [3.263e-02 , 1.136e-01] + - [3.598e-02 , 1.143e-01] + - [3.828e-02 , 1.154e-01] + - [3.931e-02 , 1.157e-01] + - [4.198e-02 , 1.162e-01] + - [4.301e-02 , 1.166e-01] + - [4.586e-02 , 1.176e-01] + - [4.852e-02 , 1.182e-01] + - [5.187e-02 , 1.193e-01] + - [5.506e-02 , 1.200e-01] + - [5.858e-02 , 1.210e-01] + - [6.152e-02 , 1.216e-01] + - [6.487e-02 , 1.226e-01] + - [6.803e-02 , 1.232e-01] + - [7.140e-02 , 1.241e-01] + - [7.554e-02 , 1.250e-01] + - [7.859e-02 , 1.257e-01] + - [8.956e-02 , 1.280e-01] + - [9.990e-02 , 1.299e-01] + - [1.111e-01 , 1.318e-01] + - [1.171e-01 , 1.327e-01] + - [1.312e-01 , 1.348e-01] + - [1.511e-01 , 1.374e-01] + - [1.717e-01 , 1.399e-01] + - [1.917e-01 , 1.421e-01] + - [2.126e-01 , 1.442e-01] + - [2.389e-01 , 1.467e-01] + - [2.497e-01 , 1.476e-01] + - [2.704e-01 , 1.494e-01] + - [3.135e-01 , 1.532e-01] + - [3.433e-01 , 1.559e-01] + - [3.773e-01 , 1.589e-01] + - [4.106e-01 , 1.619e-01] + - [4.282e-01 , 1.634e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-7.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-7.yaml new file mode 100644 index 0000000..c308a29 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-7.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 355 K + ignition-delay: + - 42.2 ms + pressure: + - 602 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.886e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.543e-01] + - [3.496e-03 , 9.106e-01] + - [3.759e-03 , 8.944e-01] + - [3.998e-03 , 8.853e-01] + - [4.259e-03 , 8.700e-01] + - [4.496e-03 , 8.605e-01] + - [5.746e-03 , 7.813e-01] + - [5.993e-03 , 7.654e-01] + - [6.249e-03 , 7.446e-01] + - [6.745e-03 , 7.095e-01] + - [6.995e-03 , 6.910e-01] + - [7.495e-03 , 6.508e-01] + - [7.745e-03 , 6.316e-01] + - [8.242e-03 , 5.920e-01] + - [8.497e-03 , 5.716e-01] + - [8.746e-03 , 5.524e-01] + - [9.246e-03 , 5.120e-01] + - [9.494e-03 , 4.936e-01] + - [9.746e-03 , 4.739e-01] + - [1.024e-02 , 4.355e-01] + - [1.050e-02 , 4.158e-01] + - [1.074e-02 , 3.968e-01] + - [1.100e-02 , 3.769e-01] + - [1.124e-02 , 3.580e-01] + - [1.149e-02 , 3.381e-01] + - [1.174e-02 , 3.180e-01] + - [1.199e-02 , 2.978e-01] + - [1.224e-02 , 2.781e-01] + - [1.249e-02 , 2.580e-01] + - [1.274e-02 , 2.380e-01] + - [1.299e-02 , 2.180e-01] + - [1.349e-02 , 1.849e-01] + - [1.374e-02 , 1.728e-01] + - [1.399e-02 , 1.618e-01] + - [1.424e-02 , 1.510e-01] + - [1.449e-02 , 1.397e-01] + - [1.474e-02 , 1.287e-01] + - [1.499e-02 , 1.186e-01] + - [1.525e-02 , 1.122e-01] + - [1.550e-02 , 1.091e-01] + - [1.576e-02 , 1.077e-01] + - [1.601e-02 , 1.070e-01] + - [1.701e-02 , 1.050e-01] + - [1.724e-02 , 1.048e-01] + - [1.803e-02 , 1.060e-01] + - [1.880e-02 , 1.070e-01] + - [2.005e-02 , 1.079e-01] + - [2.101e-02 , 1.083e-01] + - [2.127e-02 , 1.082e-01] + - [2.275e-02 , 1.089e-01] + - [2.555e-02 , 1.109e-01] + - [2.658e-02 , 1.113e-01] + - [2.801e-02 , 1.115e-01] + - [2.949e-02 , 1.120e-01] + - [3.129e-02 , 1.130e-01] + - [3.263e-02 , 1.136e-01] + - [3.598e-02 , 1.143e-01] + - [3.828e-02 , 1.154e-01] + - [3.931e-02 , 1.157e-01] + - [4.198e-02 , 1.162e-01] + - [4.301e-02 , 1.166e-01] + - [4.586e-02 , 1.176e-01] + - [4.852e-02 , 1.182e-01] + - [5.187e-02 , 1.193e-01] + - [5.506e-02 , 1.200e-01] + - [5.858e-02 , 1.210e-01] + - [6.152e-02 , 1.216e-01] + - [6.487e-02 , 1.226e-01] + - [6.803e-02 , 1.232e-01] + - [7.140e-02 , 1.241e-01] + - [7.554e-02 , 1.250e-01] + - [7.859e-02 , 1.257e-01] + - [8.956e-02 , 1.280e-01] + - [9.990e-02 , 1.299e-01] + - [1.111e-01 , 1.318e-01] + - [1.171e-01 , 1.327e-01] + - [1.312e-01 , 1.348e-01] + - [1.511e-01 , 1.374e-01] + - [1.717e-01 , 1.399e-01] + - [1.917e-01 , 1.421e-01] + - [2.126e-01 , 1.442e-01] + - [2.389e-01 , 1.467e-01] + - [2.497e-01 , 1.476e-01] + - [2.704e-01 , 1.494e-01] + - [3.135e-01 , 1.532e-01] + - [3.433e-01 , 1.559e-01] + - [3.773e-01 , 1.589e-01] + - [4.106e-01 , 1.619e-01] + - [4.282e-01 , 1.634e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-8.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-8.yaml new file mode 100644 index 0000000..4ad8bf9 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-8.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 355 K + ignition-delay: + - 42.4 ms + pressure: + - 601 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.886e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.543e-01] + - [3.496e-03 , 9.106e-01] + - [3.759e-03 , 8.944e-01] + - [3.998e-03 , 8.853e-01] + - [4.259e-03 , 8.700e-01] + - [4.496e-03 , 8.605e-01] + - [5.746e-03 , 7.813e-01] + - [5.993e-03 , 7.654e-01] + - [6.249e-03 , 7.446e-01] + - [6.745e-03 , 7.095e-01] + - [6.995e-03 , 6.910e-01] + - [7.495e-03 , 6.508e-01] + - [7.745e-03 , 6.316e-01] + - [8.242e-03 , 5.920e-01] + - [8.497e-03 , 5.716e-01] + - [8.746e-03 , 5.524e-01] + - [9.246e-03 , 5.120e-01] + - [9.494e-03 , 4.936e-01] + - [9.746e-03 , 4.739e-01] + - [1.024e-02 , 4.355e-01] + - [1.050e-02 , 4.158e-01] + - [1.074e-02 , 3.968e-01] + - [1.100e-02 , 3.769e-01] + - [1.124e-02 , 3.580e-01] + - [1.149e-02 , 3.381e-01] + - [1.174e-02 , 3.180e-01] + - [1.199e-02 , 2.978e-01] + - [1.224e-02 , 2.781e-01] + - [1.249e-02 , 2.580e-01] + - [1.274e-02 , 2.380e-01] + - [1.299e-02 , 2.180e-01] + - [1.349e-02 , 1.849e-01] + - [1.374e-02 , 1.728e-01] + - [1.399e-02 , 1.618e-01] + - [1.424e-02 , 1.510e-01] + - [1.449e-02 , 1.397e-01] + - [1.474e-02 , 1.287e-01] + - [1.499e-02 , 1.186e-01] + - [1.525e-02 , 1.122e-01] + - [1.550e-02 , 1.091e-01] + - [1.576e-02 , 1.077e-01] + - [1.601e-02 , 1.070e-01] + - [1.701e-02 , 1.050e-01] + - [1.724e-02 , 1.048e-01] + - [1.803e-02 , 1.060e-01] + - [1.880e-02 , 1.070e-01] + - [2.005e-02 , 1.079e-01] + - [2.101e-02 , 1.083e-01] + - [2.127e-02 , 1.082e-01] + - [2.275e-02 , 1.089e-01] + - [2.555e-02 , 1.109e-01] + - [2.658e-02 , 1.113e-01] + - [2.801e-02 , 1.115e-01] + - [2.949e-02 , 1.120e-01] + - [3.129e-02 , 1.130e-01] + - [3.263e-02 , 1.136e-01] + - [3.598e-02 , 1.143e-01] + - [3.828e-02 , 1.154e-01] + - [3.931e-02 , 1.157e-01] + - [4.198e-02 , 1.162e-01] + - [4.301e-02 , 1.166e-01] + - [4.586e-02 , 1.176e-01] + - [4.852e-02 , 1.182e-01] + - [5.187e-02 , 1.193e-01] + - [5.506e-02 , 1.200e-01] + - [5.858e-02 , 1.210e-01] + - [6.152e-02 , 1.216e-01] + - [6.487e-02 , 1.226e-01] + - [6.803e-02 , 1.232e-01] + - [7.140e-02 , 1.241e-01] + - [7.554e-02 , 1.250e-01] + - [7.859e-02 , 1.257e-01] + - [8.956e-02 , 1.280e-01] + - [9.990e-02 , 1.299e-01] + - [1.111e-01 , 1.318e-01] + - [1.171e-01 , 1.327e-01] + - [1.312e-01 , 1.348e-01] + - [1.511e-01 , 1.374e-01] + - [1.717e-01 , 1.399e-01] + - [1.917e-01 , 1.421e-01] + - [2.126e-01 , 1.442e-01] + - [2.389e-01 , 1.467e-01] + - [2.497e-01 , 1.476e-01] + - [2.704e-01 , 1.494e-01] + - [3.135e-01 , 1.532e-01] + - [3.433e-01 , 1.559e-01] + - [3.773e-01 , 1.589e-01] + - [4.106e-01 , 1.619e-01] + - [4.282e-01 , 1.634e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-9.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-9.yaml new file mode 100644 index 0000000..89a211e --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_16-9.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 360 K + ignition-delay: + - 29.9 ms + pressure: + - 600 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 16 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.886e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.543e-01] + - [3.496e-03 , 9.106e-01] + - [3.759e-03 , 8.944e-01] + - [3.998e-03 , 8.853e-01] + - [4.259e-03 , 8.700e-01] + - [4.496e-03 , 8.605e-01] + - [5.746e-03 , 7.813e-01] + - [5.993e-03 , 7.654e-01] + - [6.249e-03 , 7.446e-01] + - [6.745e-03 , 7.095e-01] + - [6.995e-03 , 6.910e-01] + - [7.495e-03 , 6.508e-01] + - [7.745e-03 , 6.316e-01] + - [8.242e-03 , 5.920e-01] + - [8.497e-03 , 5.716e-01] + - [8.746e-03 , 5.524e-01] + - [9.246e-03 , 5.120e-01] + - [9.494e-03 , 4.936e-01] + - [9.746e-03 , 4.739e-01] + - [1.024e-02 , 4.355e-01] + - [1.050e-02 , 4.158e-01] + - [1.074e-02 , 3.968e-01] + - [1.100e-02 , 3.769e-01] + - [1.124e-02 , 3.580e-01] + - [1.149e-02 , 3.381e-01] + - [1.174e-02 , 3.180e-01] + - [1.199e-02 , 2.978e-01] + - [1.224e-02 , 2.781e-01] + - [1.249e-02 , 2.580e-01] + - [1.274e-02 , 2.380e-01] + - [1.299e-02 , 2.180e-01] + - [1.349e-02 , 1.849e-01] + - [1.374e-02 , 1.728e-01] + - [1.399e-02 , 1.618e-01] + - [1.424e-02 , 1.510e-01] + - [1.449e-02 , 1.397e-01] + - [1.474e-02 , 1.287e-01] + - [1.499e-02 , 1.186e-01] + - [1.525e-02 , 1.122e-01] + - [1.550e-02 , 1.091e-01] + - [1.576e-02 , 1.077e-01] + - [1.601e-02 , 1.070e-01] + - [1.701e-02 , 1.050e-01] + - [1.724e-02 , 1.048e-01] + - [1.803e-02 , 1.060e-01] + - [1.880e-02 , 1.070e-01] + - [2.005e-02 , 1.079e-01] + - [2.101e-02 , 1.083e-01] + - [2.127e-02 , 1.082e-01] + - [2.275e-02 , 1.089e-01] + - [2.555e-02 , 1.109e-01] + - [2.658e-02 , 1.113e-01] + - [2.801e-02 , 1.115e-01] + - [2.949e-02 , 1.120e-01] + - [3.129e-02 , 1.130e-01] + - [3.263e-02 , 1.136e-01] + - [3.598e-02 , 1.143e-01] + - [3.828e-02 , 1.154e-01] + - [3.931e-02 , 1.157e-01] + - [4.198e-02 , 1.162e-01] + - [4.301e-02 , 1.166e-01] + - [4.586e-02 , 1.176e-01] + - [4.852e-02 , 1.182e-01] + - [5.187e-02 , 1.193e-01] + - [5.506e-02 , 1.200e-01] + - [5.858e-02 , 1.210e-01] + - [6.152e-02 , 1.216e-01] + - [6.487e-02 , 1.226e-01] + - [6.803e-02 , 1.232e-01] + - [7.140e-02 , 1.241e-01] + - [7.554e-02 , 1.250e-01] + - [7.859e-02 , 1.257e-01] + - [8.956e-02 , 1.280e-01] + - [9.990e-02 , 1.299e-01] + - [1.111e-01 , 1.318e-01] + - [1.171e-01 , 1.327e-01] + - [1.312e-01 , 1.348e-01] + - [1.511e-01 , 1.374e-01] + - [1.717e-01 , 1.399e-01] + - [1.917e-01 , 1.421e-01] + - [2.126e-01 , 1.442e-01] + - [2.389e-01 , 1.467e-01] + - [2.497e-01 , 1.476e-01] + - [2.704e-01 , 1.494e-01] + - [3.135e-01 , 1.532e-01] + - [3.433e-01 , 1.559e-01] + - [3.773e-01 , 1.589e-01] + - [4.106e-01 , 1.619e-01] + - [4.282e-01 , 1.634e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-1.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-1.yaml new file mode 100644 index 0000000..6a33e5a --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-1.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 330 K + ignition-delay: + - 323.5 ms + pressure: + - 1162 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.725e-01] + - [1.463e-03 , 9.213e-01] + - [3.487e-03 , 8.346e-01] + - [3.744e-03 , 8.141e-01] + - [3.993e-03 , 7.930e-01] + - [4.492e-03 , 7.684e-01] + - [4.746e-03 , 7.544e-01] + - [5.484e-03 , 6.985e-01] + - [5.738e-03 , 6.839e-01] + - [6.237e-03 , 6.470e-01] + - [6.493e-03 , 6.242e-01] + - [6.742e-03 , 6.076e-01] + - [6.988e-03 , 5.897e-01] + - [7.241e-03 , 5.692e-01] + - [7.488e-03 , 5.519e-01] + - [7.741e-03 , 5.324e-01] + - [7.987e-03 , 5.159e-01] + - [8.240e-03 , 4.960e-01] + - [8.487e-03 , 4.805e-01] + - [8.738e-03 , 4.624e-01] + - [8.988e-03 , 4.441e-01] + - [9.238e-03 , 4.263e-01] + - [9.486e-03 , 4.093e-01] + - [9.738e-03 , 3.908e-01] + - [9.987e-03 , 3.732e-01] + - [1.024e-02 , 3.541e-01] + - [1.049e-02 , 3.356e-01] + - [1.074e-02 , 3.174e-01] + - [1.099e-02 , 3.008e-01] + - [1.124e-02 , 2.827e-01] + - [1.149e-02 , 2.644e-01] + - [1.174e-02 , 2.467e-01] + - [1.198e-02 , 2.288e-01] + - [1.223e-02 , 2.107e-01] + - [1.248e-02 , 1.928e-01] + - [1.274e-02 , 1.751e-01] + - [1.299e-02 , 1.602e-01] + - [1.324e-02 , 1.490e-01] + - [1.348e-02 , 1.392e-01] + - [1.374e-02 , 1.295e-01] + - [1.399e-02 , 1.209e-01] + - [1.424e-02 , 1.143e-01] + - [1.449e-02 , 1.110e-01] + - [1.475e-02 , 1.093e-01] + - [1.500e-02 , 1.081e-01] + - [1.552e-02 , 1.066e-01] + - [1.604e-02 , 1.057e-01] + - [1.652e-02 , 1.054e-01] + - [1.699e-02 , 1.055e-01] + - [1.750e-02 , 1.058e-01] + - [1.774e-02 , 1.063e-01] + - [1.827e-02 , 1.070e-01] + - [1.925e-02 , 1.080e-01] + - [2.097e-02 , 1.089e-01] + - [2.200e-02 , 1.097e-01] + - [2.223e-02 , 1.099e-01] + - [2.426e-02 , 1.122e-01] + - [2.530e-02 , 1.130e-01] + - [2.605e-02 , 1.133e-01] + - [2.847e-02 , 1.143e-01] + - [3.023e-02 , 1.157e-01] + - [3.146e-02 , 1.164e-01] + - [3.228e-02 , 1.168e-01] + - [3.443e-02 , 1.173e-01] + - [3.696e-02 , 1.186e-01] + - [3.859e-02 , 1.194e-01] + - [4.099e-02 , 1.198e-01] + - [4.125e-02 , 1.200e-01] + - [4.249e-02 , 1.204e-01] + - [4.275e-02 , 1.206e-01] + - [4.451e-02 , 1.214e-01] + - [4.475e-02 , 1.214e-01] + - [4.817e-02 , 1.223e-01] + - [5.024e-02 , 1.231e-01] + - [6.377e-02 , 1.269e-01] + - [8.027e-02 , 1.310e-01] + - [9.587e-02 , 1.343e-01] + - [1.108e-01 , 1.372e-01] + - [1.175e-01 , 1.383e-01] + - [1.223e-01 , 1.390e-01] + - [1.228e-01 , 1.391e-01] + - [1.391e-01 , 1.415e-01] + - [1.524e-01 , 1.431e-01] + - [1.591e-01 , 1.439e-01] + - [1.717e-01 , 1.451e-01] + - [1.977e-01 , 1.477e-01] + - [1.983e-01 , 1.479e-01] + - [1.990e-01 , 1.477e-01] + - [1.992e-01 , 1.478e-01] + - [2.119e-01 , 1.489e-01] + - [2.191e-01 , 1.497e-01] + - [2.525e-01 , 1.526e-01] + - [2.569e-01 , 1.530e-01] + - [2.753e-01 , 1.546e-01] + - [3.020e-01 , 1.570e-01] + - [3.508e-01 , 1.612e-01] + - [4.093e-01 , 1.664e-01] + - [4.247e-01 , 1.677e-01] + - [4.277e-01 , 1.680e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-10.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-10.yaml new file mode 100644 index 0000000..02b9389 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-10.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 360 K + ignition-delay: + - 6.8 ms + pressure: + - 1155 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.725e-01] + - [1.463e-03 , 9.213e-01] + - [3.487e-03 , 8.346e-01] + - [3.744e-03 , 8.141e-01] + - [3.993e-03 , 7.930e-01] + - [4.492e-03 , 7.684e-01] + - [4.746e-03 , 7.544e-01] + - [5.484e-03 , 6.985e-01] + - [5.738e-03 , 6.839e-01] + - [6.237e-03 , 6.470e-01] + - [6.493e-03 , 6.242e-01] + - [6.742e-03 , 6.076e-01] + - [6.988e-03 , 5.897e-01] + - [7.241e-03 , 5.692e-01] + - [7.488e-03 , 5.519e-01] + - [7.741e-03 , 5.324e-01] + - [7.987e-03 , 5.159e-01] + - [8.240e-03 , 4.960e-01] + - [8.487e-03 , 4.805e-01] + - [8.738e-03 , 4.624e-01] + - [8.988e-03 , 4.441e-01] + - [9.238e-03 , 4.263e-01] + - [9.486e-03 , 4.093e-01] + - [9.738e-03 , 3.908e-01] + - [9.987e-03 , 3.732e-01] + - [1.024e-02 , 3.541e-01] + - [1.049e-02 , 3.356e-01] + - [1.074e-02 , 3.174e-01] + - [1.099e-02 , 3.008e-01] + - [1.124e-02 , 2.827e-01] + - [1.149e-02 , 2.644e-01] + - [1.174e-02 , 2.467e-01] + - [1.198e-02 , 2.288e-01] + - [1.223e-02 , 2.107e-01] + - [1.248e-02 , 1.928e-01] + - [1.274e-02 , 1.751e-01] + - [1.299e-02 , 1.602e-01] + - [1.324e-02 , 1.490e-01] + - [1.348e-02 , 1.392e-01] + - [1.374e-02 , 1.295e-01] + - [1.399e-02 , 1.209e-01] + - [1.424e-02 , 1.143e-01] + - [1.449e-02 , 1.110e-01] + - [1.475e-02 , 1.093e-01] + - [1.500e-02 , 1.081e-01] + - [1.552e-02 , 1.066e-01] + - [1.604e-02 , 1.057e-01] + - [1.652e-02 , 1.054e-01] + - [1.699e-02 , 1.055e-01] + - [1.750e-02 , 1.058e-01] + - [1.774e-02 , 1.063e-01] + - [1.827e-02 , 1.070e-01] + - [1.925e-02 , 1.080e-01] + - [2.097e-02 , 1.089e-01] + - [2.200e-02 , 1.097e-01] + - [2.223e-02 , 1.099e-01] + - [2.426e-02 , 1.122e-01] + - [2.530e-02 , 1.130e-01] + - [2.605e-02 , 1.133e-01] + - [2.847e-02 , 1.143e-01] + - [3.023e-02 , 1.157e-01] + - [3.146e-02 , 1.164e-01] + - [3.228e-02 , 1.168e-01] + - [3.443e-02 , 1.173e-01] + - [3.696e-02 , 1.186e-01] + - [3.859e-02 , 1.194e-01] + - [4.099e-02 , 1.198e-01] + - [4.125e-02 , 1.200e-01] + - [4.249e-02 , 1.204e-01] + - [4.275e-02 , 1.206e-01] + - [4.451e-02 , 1.214e-01] + - [4.475e-02 , 1.214e-01] + - [4.817e-02 , 1.223e-01] + - [5.024e-02 , 1.231e-01] + - [6.377e-02 , 1.269e-01] + - [8.027e-02 , 1.310e-01] + - [9.587e-02 , 1.343e-01] + - [1.108e-01 , 1.372e-01] + - [1.175e-01 , 1.383e-01] + - [1.223e-01 , 1.390e-01] + - [1.228e-01 , 1.391e-01] + - [1.391e-01 , 1.415e-01] + - [1.524e-01 , 1.431e-01] + - [1.591e-01 , 1.439e-01] + - [1.717e-01 , 1.451e-01] + - [1.977e-01 , 1.477e-01] + - [1.983e-01 , 1.479e-01] + - [1.990e-01 , 1.477e-01] + - [1.992e-01 , 1.478e-01] + - [2.119e-01 , 1.489e-01] + - [2.191e-01 , 1.497e-01] + - [2.525e-01 , 1.526e-01] + - [2.569e-01 , 1.530e-01] + - [2.753e-01 , 1.546e-01] + - [3.020e-01 , 1.570e-01] + - [3.508e-01 , 1.612e-01] + - [4.093e-01 , 1.664e-01] + - [4.247e-01 , 1.677e-01] + - [4.277e-01 , 1.680e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-11.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-11.yaml new file mode 100644 index 0000000..1299d53 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-11.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 360 K + ignition-delay: + - 7.3 ms + pressure: + - 1155 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.725e-01] + - [1.463e-03 , 9.213e-01] + - [3.487e-03 , 8.346e-01] + - [3.744e-03 , 8.141e-01] + - [3.993e-03 , 7.930e-01] + - [4.492e-03 , 7.684e-01] + - [4.746e-03 , 7.544e-01] + - [5.484e-03 , 6.985e-01] + - [5.738e-03 , 6.839e-01] + - [6.237e-03 , 6.470e-01] + - [6.493e-03 , 6.242e-01] + - [6.742e-03 , 6.076e-01] + - [6.988e-03 , 5.897e-01] + - [7.241e-03 , 5.692e-01] + - [7.488e-03 , 5.519e-01] + - [7.741e-03 , 5.324e-01] + - [7.987e-03 , 5.159e-01] + - [8.240e-03 , 4.960e-01] + - [8.487e-03 , 4.805e-01] + - [8.738e-03 , 4.624e-01] + - [8.988e-03 , 4.441e-01] + - [9.238e-03 , 4.263e-01] + - [9.486e-03 , 4.093e-01] + - [9.738e-03 , 3.908e-01] + - [9.987e-03 , 3.732e-01] + - [1.024e-02 , 3.541e-01] + - [1.049e-02 , 3.356e-01] + - [1.074e-02 , 3.174e-01] + - [1.099e-02 , 3.008e-01] + - [1.124e-02 , 2.827e-01] + - [1.149e-02 , 2.644e-01] + - [1.174e-02 , 2.467e-01] + - [1.198e-02 , 2.288e-01] + - [1.223e-02 , 2.107e-01] + - [1.248e-02 , 1.928e-01] + - [1.274e-02 , 1.751e-01] + - [1.299e-02 , 1.602e-01] + - [1.324e-02 , 1.490e-01] + - [1.348e-02 , 1.392e-01] + - [1.374e-02 , 1.295e-01] + - [1.399e-02 , 1.209e-01] + - [1.424e-02 , 1.143e-01] + - [1.449e-02 , 1.110e-01] + - [1.475e-02 , 1.093e-01] + - [1.500e-02 , 1.081e-01] + - [1.552e-02 , 1.066e-01] + - [1.604e-02 , 1.057e-01] + - [1.652e-02 , 1.054e-01] + - [1.699e-02 , 1.055e-01] + - [1.750e-02 , 1.058e-01] + - [1.774e-02 , 1.063e-01] + - [1.827e-02 , 1.070e-01] + - [1.925e-02 , 1.080e-01] + - [2.097e-02 , 1.089e-01] + - [2.200e-02 , 1.097e-01] + - [2.223e-02 , 1.099e-01] + - [2.426e-02 , 1.122e-01] + - [2.530e-02 , 1.130e-01] + - [2.605e-02 , 1.133e-01] + - [2.847e-02 , 1.143e-01] + - [3.023e-02 , 1.157e-01] + - [3.146e-02 , 1.164e-01] + - [3.228e-02 , 1.168e-01] + - [3.443e-02 , 1.173e-01] + - [3.696e-02 , 1.186e-01] + - [3.859e-02 , 1.194e-01] + - [4.099e-02 , 1.198e-01] + - [4.125e-02 , 1.200e-01] + - [4.249e-02 , 1.204e-01] + - [4.275e-02 , 1.206e-01] + - [4.451e-02 , 1.214e-01] + - [4.475e-02 , 1.214e-01] + - [4.817e-02 , 1.223e-01] + - [5.024e-02 , 1.231e-01] + - [6.377e-02 , 1.269e-01] + - [8.027e-02 , 1.310e-01] + - [9.587e-02 , 1.343e-01] + - [1.108e-01 , 1.372e-01] + - [1.175e-01 , 1.383e-01] + - [1.223e-01 , 1.390e-01] + - [1.228e-01 , 1.391e-01] + - [1.391e-01 , 1.415e-01] + - [1.524e-01 , 1.431e-01] + - [1.591e-01 , 1.439e-01] + - [1.717e-01 , 1.451e-01] + - [1.977e-01 , 1.477e-01] + - [1.983e-01 , 1.479e-01] + - [1.990e-01 , 1.477e-01] + - [1.992e-01 , 1.478e-01] + - [2.119e-01 , 1.489e-01] + - [2.191e-01 , 1.497e-01] + - [2.525e-01 , 1.526e-01] + - [2.569e-01 , 1.530e-01] + - [2.753e-01 , 1.546e-01] + - [3.020e-01 , 1.570e-01] + - [3.508e-01 , 1.612e-01] + - [4.093e-01 , 1.664e-01] + - [4.247e-01 , 1.677e-01] + - [4.277e-01 , 1.680e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-12.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-12.yaml new file mode 100644 index 0000000..04a1441 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-12.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 360 K + ignition-delay: + - 9.6 ms + pressure: + - 1152 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.725e-01] + - [1.463e-03 , 9.213e-01] + - [3.487e-03 , 8.346e-01] + - [3.744e-03 , 8.141e-01] + - [3.993e-03 , 7.930e-01] + - [4.492e-03 , 7.684e-01] + - [4.746e-03 , 7.544e-01] + - [5.484e-03 , 6.985e-01] + - [5.738e-03 , 6.839e-01] + - [6.237e-03 , 6.470e-01] + - [6.493e-03 , 6.242e-01] + - [6.742e-03 , 6.076e-01] + - [6.988e-03 , 5.897e-01] + - [7.241e-03 , 5.692e-01] + - [7.488e-03 , 5.519e-01] + - [7.741e-03 , 5.324e-01] + - [7.987e-03 , 5.159e-01] + - [8.240e-03 , 4.960e-01] + - [8.487e-03 , 4.805e-01] + - [8.738e-03 , 4.624e-01] + - [8.988e-03 , 4.441e-01] + - [9.238e-03 , 4.263e-01] + - [9.486e-03 , 4.093e-01] + - [9.738e-03 , 3.908e-01] + - [9.987e-03 , 3.732e-01] + - [1.024e-02 , 3.541e-01] + - [1.049e-02 , 3.356e-01] + - [1.074e-02 , 3.174e-01] + - [1.099e-02 , 3.008e-01] + - [1.124e-02 , 2.827e-01] + - [1.149e-02 , 2.644e-01] + - [1.174e-02 , 2.467e-01] + - [1.198e-02 , 2.288e-01] + - [1.223e-02 , 2.107e-01] + - [1.248e-02 , 1.928e-01] + - [1.274e-02 , 1.751e-01] + - [1.299e-02 , 1.602e-01] + - [1.324e-02 , 1.490e-01] + - [1.348e-02 , 1.392e-01] + - [1.374e-02 , 1.295e-01] + - [1.399e-02 , 1.209e-01] + - [1.424e-02 , 1.143e-01] + - [1.449e-02 , 1.110e-01] + - [1.475e-02 , 1.093e-01] + - [1.500e-02 , 1.081e-01] + - [1.552e-02 , 1.066e-01] + - [1.604e-02 , 1.057e-01] + - [1.652e-02 , 1.054e-01] + - [1.699e-02 , 1.055e-01] + - [1.750e-02 , 1.058e-01] + - [1.774e-02 , 1.063e-01] + - [1.827e-02 , 1.070e-01] + - [1.925e-02 , 1.080e-01] + - [2.097e-02 , 1.089e-01] + - [2.200e-02 , 1.097e-01] + - [2.223e-02 , 1.099e-01] + - [2.426e-02 , 1.122e-01] + - [2.530e-02 , 1.130e-01] + - [2.605e-02 , 1.133e-01] + - [2.847e-02 , 1.143e-01] + - [3.023e-02 , 1.157e-01] + - [3.146e-02 , 1.164e-01] + - [3.228e-02 , 1.168e-01] + - [3.443e-02 , 1.173e-01] + - [3.696e-02 , 1.186e-01] + - [3.859e-02 , 1.194e-01] + - [4.099e-02 , 1.198e-01] + - [4.125e-02 , 1.200e-01] + - [4.249e-02 , 1.204e-01] + - [4.275e-02 , 1.206e-01] + - [4.451e-02 , 1.214e-01] + - [4.475e-02 , 1.214e-01] + - [4.817e-02 , 1.223e-01] + - [5.024e-02 , 1.231e-01] + - [6.377e-02 , 1.269e-01] + - [8.027e-02 , 1.310e-01] + - [9.587e-02 , 1.343e-01] + - [1.108e-01 , 1.372e-01] + - [1.175e-01 , 1.383e-01] + - [1.223e-01 , 1.390e-01] + - [1.228e-01 , 1.391e-01] + - [1.391e-01 , 1.415e-01] + - [1.524e-01 , 1.431e-01] + - [1.591e-01 , 1.439e-01] + - [1.717e-01 , 1.451e-01] + - [1.977e-01 , 1.477e-01] + - [1.983e-01 , 1.479e-01] + - [1.990e-01 , 1.477e-01] + - [1.992e-01 , 1.478e-01] + - [2.119e-01 , 1.489e-01] + - [2.191e-01 , 1.497e-01] + - [2.525e-01 , 1.526e-01] + - [2.569e-01 , 1.530e-01] + - [2.753e-01 , 1.546e-01] + - [3.020e-01 , 1.570e-01] + - [3.508e-01 , 1.612e-01] + - [4.093e-01 , 1.664e-01] + - [4.247e-01 , 1.677e-01] + - [4.277e-01 , 1.680e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-13.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-13.yaml new file mode 100644 index 0000000..2c241e2 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-13.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 355 K + ignition-delay: + - 13.1 ms + pressure: + - 1153 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.725e-01] + - [1.463e-03 , 9.213e-01] + - [3.487e-03 , 8.346e-01] + - [3.744e-03 , 8.141e-01] + - [3.993e-03 , 7.930e-01] + - [4.492e-03 , 7.684e-01] + - [4.746e-03 , 7.544e-01] + - [5.484e-03 , 6.985e-01] + - [5.738e-03 , 6.839e-01] + - [6.237e-03 , 6.470e-01] + - [6.493e-03 , 6.242e-01] + - [6.742e-03 , 6.076e-01] + - [6.988e-03 , 5.897e-01] + - [7.241e-03 , 5.692e-01] + - [7.488e-03 , 5.519e-01] + - [7.741e-03 , 5.324e-01] + - [7.987e-03 , 5.159e-01] + - [8.240e-03 , 4.960e-01] + - [8.487e-03 , 4.805e-01] + - [8.738e-03 , 4.624e-01] + - [8.988e-03 , 4.441e-01] + - [9.238e-03 , 4.263e-01] + - [9.486e-03 , 4.093e-01] + - [9.738e-03 , 3.908e-01] + - [9.987e-03 , 3.732e-01] + - [1.024e-02 , 3.541e-01] + - [1.049e-02 , 3.356e-01] + - [1.074e-02 , 3.174e-01] + - [1.099e-02 , 3.008e-01] + - [1.124e-02 , 2.827e-01] + - [1.149e-02 , 2.644e-01] + - [1.174e-02 , 2.467e-01] + - [1.198e-02 , 2.288e-01] + - [1.223e-02 , 2.107e-01] + - [1.248e-02 , 1.928e-01] + - [1.274e-02 , 1.751e-01] + - [1.299e-02 , 1.602e-01] + - [1.324e-02 , 1.490e-01] + - [1.348e-02 , 1.392e-01] + - [1.374e-02 , 1.295e-01] + - [1.399e-02 , 1.209e-01] + - [1.424e-02 , 1.143e-01] + - [1.449e-02 , 1.110e-01] + - [1.475e-02 , 1.093e-01] + - [1.500e-02 , 1.081e-01] + - [1.552e-02 , 1.066e-01] + - [1.604e-02 , 1.057e-01] + - [1.652e-02 , 1.054e-01] + - [1.699e-02 , 1.055e-01] + - [1.750e-02 , 1.058e-01] + - [1.774e-02 , 1.063e-01] + - [1.827e-02 , 1.070e-01] + - [1.925e-02 , 1.080e-01] + - [2.097e-02 , 1.089e-01] + - [2.200e-02 , 1.097e-01] + - [2.223e-02 , 1.099e-01] + - [2.426e-02 , 1.122e-01] + - [2.530e-02 , 1.130e-01] + - [2.605e-02 , 1.133e-01] + - [2.847e-02 , 1.143e-01] + - [3.023e-02 , 1.157e-01] + - [3.146e-02 , 1.164e-01] + - [3.228e-02 , 1.168e-01] + - [3.443e-02 , 1.173e-01] + - [3.696e-02 , 1.186e-01] + - [3.859e-02 , 1.194e-01] + - [4.099e-02 , 1.198e-01] + - [4.125e-02 , 1.200e-01] + - [4.249e-02 , 1.204e-01] + - [4.275e-02 , 1.206e-01] + - [4.451e-02 , 1.214e-01] + - [4.475e-02 , 1.214e-01] + - [4.817e-02 , 1.223e-01] + - [5.024e-02 , 1.231e-01] + - [6.377e-02 , 1.269e-01] + - [8.027e-02 , 1.310e-01] + - [9.587e-02 , 1.343e-01] + - [1.108e-01 , 1.372e-01] + - [1.175e-01 , 1.383e-01] + - [1.223e-01 , 1.390e-01] + - [1.228e-01 , 1.391e-01] + - [1.391e-01 , 1.415e-01] + - [1.524e-01 , 1.431e-01] + - [1.591e-01 , 1.439e-01] + - [1.717e-01 , 1.451e-01] + - [1.977e-01 , 1.477e-01] + - [1.983e-01 , 1.479e-01] + - [1.990e-01 , 1.477e-01] + - [1.992e-01 , 1.478e-01] + - [2.119e-01 , 1.489e-01] + - [2.191e-01 , 1.497e-01] + - [2.525e-01 , 1.526e-01] + - [2.569e-01 , 1.530e-01] + - [2.753e-01 , 1.546e-01] + - [3.020e-01 , 1.570e-01] + - [3.508e-01 , 1.612e-01] + - [4.093e-01 , 1.664e-01] + - [4.247e-01 , 1.677e-01] + - [4.277e-01 , 1.680e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-14.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-14.yaml new file mode 100644 index 0000000..593b4e4 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-14.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 355 K + ignition-delay: + - 14.3 ms + pressure: + - 1150 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.725e-01] + - [1.463e-03 , 9.213e-01] + - [3.487e-03 , 8.346e-01] + - [3.744e-03 , 8.141e-01] + - [3.993e-03 , 7.930e-01] + - [4.492e-03 , 7.684e-01] + - [4.746e-03 , 7.544e-01] + - [5.484e-03 , 6.985e-01] + - [5.738e-03 , 6.839e-01] + - [6.237e-03 , 6.470e-01] + - [6.493e-03 , 6.242e-01] + - [6.742e-03 , 6.076e-01] + - [6.988e-03 , 5.897e-01] + - [7.241e-03 , 5.692e-01] + - [7.488e-03 , 5.519e-01] + - [7.741e-03 , 5.324e-01] + - [7.987e-03 , 5.159e-01] + - [8.240e-03 , 4.960e-01] + - [8.487e-03 , 4.805e-01] + - [8.738e-03 , 4.624e-01] + - [8.988e-03 , 4.441e-01] + - [9.238e-03 , 4.263e-01] + - [9.486e-03 , 4.093e-01] + - [9.738e-03 , 3.908e-01] + - [9.987e-03 , 3.732e-01] + - [1.024e-02 , 3.541e-01] + - [1.049e-02 , 3.356e-01] + - [1.074e-02 , 3.174e-01] + - [1.099e-02 , 3.008e-01] + - [1.124e-02 , 2.827e-01] + - [1.149e-02 , 2.644e-01] + - [1.174e-02 , 2.467e-01] + - [1.198e-02 , 2.288e-01] + - [1.223e-02 , 2.107e-01] + - [1.248e-02 , 1.928e-01] + - [1.274e-02 , 1.751e-01] + - [1.299e-02 , 1.602e-01] + - [1.324e-02 , 1.490e-01] + - [1.348e-02 , 1.392e-01] + - [1.374e-02 , 1.295e-01] + - [1.399e-02 , 1.209e-01] + - [1.424e-02 , 1.143e-01] + - [1.449e-02 , 1.110e-01] + - [1.475e-02 , 1.093e-01] + - [1.500e-02 , 1.081e-01] + - [1.552e-02 , 1.066e-01] + - [1.604e-02 , 1.057e-01] + - [1.652e-02 , 1.054e-01] + - [1.699e-02 , 1.055e-01] + - [1.750e-02 , 1.058e-01] + - [1.774e-02 , 1.063e-01] + - [1.827e-02 , 1.070e-01] + - [1.925e-02 , 1.080e-01] + - [2.097e-02 , 1.089e-01] + - [2.200e-02 , 1.097e-01] + - [2.223e-02 , 1.099e-01] + - [2.426e-02 , 1.122e-01] + - [2.530e-02 , 1.130e-01] + - [2.605e-02 , 1.133e-01] + - [2.847e-02 , 1.143e-01] + - [3.023e-02 , 1.157e-01] + - [3.146e-02 , 1.164e-01] + - [3.228e-02 , 1.168e-01] + - [3.443e-02 , 1.173e-01] + - [3.696e-02 , 1.186e-01] + - [3.859e-02 , 1.194e-01] + - [4.099e-02 , 1.198e-01] + - [4.125e-02 , 1.200e-01] + - [4.249e-02 , 1.204e-01] + - [4.275e-02 , 1.206e-01] + - [4.451e-02 , 1.214e-01] + - [4.475e-02 , 1.214e-01] + - [4.817e-02 , 1.223e-01] + - [5.024e-02 , 1.231e-01] + - [6.377e-02 , 1.269e-01] + - [8.027e-02 , 1.310e-01] + - [9.587e-02 , 1.343e-01] + - [1.108e-01 , 1.372e-01] + - [1.175e-01 , 1.383e-01] + - [1.223e-01 , 1.390e-01] + - [1.228e-01 , 1.391e-01] + - [1.391e-01 , 1.415e-01] + - [1.524e-01 , 1.431e-01] + - [1.591e-01 , 1.439e-01] + - [1.717e-01 , 1.451e-01] + - [1.977e-01 , 1.477e-01] + - [1.983e-01 , 1.479e-01] + - [1.990e-01 , 1.477e-01] + - [1.992e-01 , 1.478e-01] + - [2.119e-01 , 1.489e-01] + - [2.191e-01 , 1.497e-01] + - [2.525e-01 , 1.526e-01] + - [2.569e-01 , 1.530e-01] + - [2.753e-01 , 1.546e-01] + - [3.020e-01 , 1.570e-01] + - [3.508e-01 , 1.612e-01] + - [4.093e-01 , 1.664e-01] + - [4.247e-01 , 1.677e-01] + - [4.277e-01 , 1.680e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-15.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-15.yaml new file mode 100644 index 0000000..1aaa2bc --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-15.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 355 K + ignition-delay: + - 14.5 ms + pressure: + - 1150 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.725e-01] + - [1.463e-03 , 9.213e-01] + - [3.487e-03 , 8.346e-01] + - [3.744e-03 , 8.141e-01] + - [3.993e-03 , 7.930e-01] + - [4.492e-03 , 7.684e-01] + - [4.746e-03 , 7.544e-01] + - [5.484e-03 , 6.985e-01] + - [5.738e-03 , 6.839e-01] + - [6.237e-03 , 6.470e-01] + - [6.493e-03 , 6.242e-01] + - [6.742e-03 , 6.076e-01] + - [6.988e-03 , 5.897e-01] + - [7.241e-03 , 5.692e-01] + - [7.488e-03 , 5.519e-01] + - [7.741e-03 , 5.324e-01] + - [7.987e-03 , 5.159e-01] + - [8.240e-03 , 4.960e-01] + - [8.487e-03 , 4.805e-01] + - [8.738e-03 , 4.624e-01] + - [8.988e-03 , 4.441e-01] + - [9.238e-03 , 4.263e-01] + - [9.486e-03 , 4.093e-01] + - [9.738e-03 , 3.908e-01] + - [9.987e-03 , 3.732e-01] + - [1.024e-02 , 3.541e-01] + - [1.049e-02 , 3.356e-01] + - [1.074e-02 , 3.174e-01] + - [1.099e-02 , 3.008e-01] + - [1.124e-02 , 2.827e-01] + - [1.149e-02 , 2.644e-01] + - [1.174e-02 , 2.467e-01] + - [1.198e-02 , 2.288e-01] + - [1.223e-02 , 2.107e-01] + - [1.248e-02 , 1.928e-01] + - [1.274e-02 , 1.751e-01] + - [1.299e-02 , 1.602e-01] + - [1.324e-02 , 1.490e-01] + - [1.348e-02 , 1.392e-01] + - [1.374e-02 , 1.295e-01] + - [1.399e-02 , 1.209e-01] + - [1.424e-02 , 1.143e-01] + - [1.449e-02 , 1.110e-01] + - [1.475e-02 , 1.093e-01] + - [1.500e-02 , 1.081e-01] + - [1.552e-02 , 1.066e-01] + - [1.604e-02 , 1.057e-01] + - [1.652e-02 , 1.054e-01] + - [1.699e-02 , 1.055e-01] + - [1.750e-02 , 1.058e-01] + - [1.774e-02 , 1.063e-01] + - [1.827e-02 , 1.070e-01] + - [1.925e-02 , 1.080e-01] + - [2.097e-02 , 1.089e-01] + - [2.200e-02 , 1.097e-01] + - [2.223e-02 , 1.099e-01] + - [2.426e-02 , 1.122e-01] + - [2.530e-02 , 1.130e-01] + - [2.605e-02 , 1.133e-01] + - [2.847e-02 , 1.143e-01] + - [3.023e-02 , 1.157e-01] + - [3.146e-02 , 1.164e-01] + - [3.228e-02 , 1.168e-01] + - [3.443e-02 , 1.173e-01] + - [3.696e-02 , 1.186e-01] + - [3.859e-02 , 1.194e-01] + - [4.099e-02 , 1.198e-01] + - [4.125e-02 , 1.200e-01] + - [4.249e-02 , 1.204e-01] + - [4.275e-02 , 1.206e-01] + - [4.451e-02 , 1.214e-01] + - [4.475e-02 , 1.214e-01] + - [4.817e-02 , 1.223e-01] + - [5.024e-02 , 1.231e-01] + - [6.377e-02 , 1.269e-01] + - [8.027e-02 , 1.310e-01] + - [9.587e-02 , 1.343e-01] + - [1.108e-01 , 1.372e-01] + - [1.175e-01 , 1.383e-01] + - [1.223e-01 , 1.390e-01] + - [1.228e-01 , 1.391e-01] + - [1.391e-01 , 1.415e-01] + - [1.524e-01 , 1.431e-01] + - [1.591e-01 , 1.439e-01] + - [1.717e-01 , 1.451e-01] + - [1.977e-01 , 1.477e-01] + - [1.983e-01 , 1.479e-01] + - [1.990e-01 , 1.477e-01] + - [1.992e-01 , 1.478e-01] + - [2.119e-01 , 1.489e-01] + - [2.191e-01 , 1.497e-01] + - [2.525e-01 , 1.526e-01] + - [2.569e-01 , 1.530e-01] + - [2.753e-01 , 1.546e-01] + - [3.020e-01 , 1.570e-01] + - [3.508e-01 , 1.612e-01] + - [4.093e-01 , 1.664e-01] + - [4.247e-01 , 1.677e-01] + - [4.277e-01 , 1.680e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-16.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-16.yaml new file mode 100644 index 0000000..e460208 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-16.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 350 K + ignition-delay: + - 22.8 ms + pressure: + - 1168 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.725e-01] + - [1.463e-03 , 9.213e-01] + - [3.487e-03 , 8.346e-01] + - [3.744e-03 , 8.141e-01] + - [3.993e-03 , 7.930e-01] + - [4.492e-03 , 7.684e-01] + - [4.746e-03 , 7.544e-01] + - [5.484e-03 , 6.985e-01] + - [5.738e-03 , 6.839e-01] + - [6.237e-03 , 6.470e-01] + - [6.493e-03 , 6.242e-01] + - [6.742e-03 , 6.076e-01] + - [6.988e-03 , 5.897e-01] + - [7.241e-03 , 5.692e-01] + - [7.488e-03 , 5.519e-01] + - [7.741e-03 , 5.324e-01] + - [7.987e-03 , 5.159e-01] + - [8.240e-03 , 4.960e-01] + - [8.487e-03 , 4.805e-01] + - [8.738e-03 , 4.624e-01] + - [8.988e-03 , 4.441e-01] + - [9.238e-03 , 4.263e-01] + - [9.486e-03 , 4.093e-01] + - [9.738e-03 , 3.908e-01] + - [9.987e-03 , 3.732e-01] + - [1.024e-02 , 3.541e-01] + - [1.049e-02 , 3.356e-01] + - [1.074e-02 , 3.174e-01] + - [1.099e-02 , 3.008e-01] + - [1.124e-02 , 2.827e-01] + - [1.149e-02 , 2.644e-01] + - [1.174e-02 , 2.467e-01] + - [1.198e-02 , 2.288e-01] + - [1.223e-02 , 2.107e-01] + - [1.248e-02 , 1.928e-01] + - [1.274e-02 , 1.751e-01] + - [1.299e-02 , 1.602e-01] + - [1.324e-02 , 1.490e-01] + - [1.348e-02 , 1.392e-01] + - [1.374e-02 , 1.295e-01] + - [1.399e-02 , 1.209e-01] + - [1.424e-02 , 1.143e-01] + - [1.449e-02 , 1.110e-01] + - [1.475e-02 , 1.093e-01] + - [1.500e-02 , 1.081e-01] + - [1.552e-02 , 1.066e-01] + - [1.604e-02 , 1.057e-01] + - [1.652e-02 , 1.054e-01] + - [1.699e-02 , 1.055e-01] + - [1.750e-02 , 1.058e-01] + - [1.774e-02 , 1.063e-01] + - [1.827e-02 , 1.070e-01] + - [1.925e-02 , 1.080e-01] + - [2.097e-02 , 1.089e-01] + - [2.200e-02 , 1.097e-01] + - [2.223e-02 , 1.099e-01] + - [2.426e-02 , 1.122e-01] + - [2.530e-02 , 1.130e-01] + - [2.605e-02 , 1.133e-01] + - [2.847e-02 , 1.143e-01] + - [3.023e-02 , 1.157e-01] + - [3.146e-02 , 1.164e-01] + - [3.228e-02 , 1.168e-01] + - [3.443e-02 , 1.173e-01] + - [3.696e-02 , 1.186e-01] + - [3.859e-02 , 1.194e-01] + - [4.099e-02 , 1.198e-01] + - [4.125e-02 , 1.200e-01] + - [4.249e-02 , 1.204e-01] + - [4.275e-02 , 1.206e-01] + - [4.451e-02 , 1.214e-01] + - [4.475e-02 , 1.214e-01] + - [4.817e-02 , 1.223e-01] + - [5.024e-02 , 1.231e-01] + - [6.377e-02 , 1.269e-01] + - [8.027e-02 , 1.310e-01] + - [9.587e-02 , 1.343e-01] + - [1.108e-01 , 1.372e-01] + - [1.175e-01 , 1.383e-01] + - [1.223e-01 , 1.390e-01] + - [1.228e-01 , 1.391e-01] + - [1.391e-01 , 1.415e-01] + - [1.524e-01 , 1.431e-01] + - [1.591e-01 , 1.439e-01] + - [1.717e-01 , 1.451e-01] + - [1.977e-01 , 1.477e-01] + - [1.983e-01 , 1.479e-01] + - [1.990e-01 , 1.477e-01] + - [1.992e-01 , 1.478e-01] + - [2.119e-01 , 1.489e-01] + - [2.191e-01 , 1.497e-01] + - [2.525e-01 , 1.526e-01] + - [2.569e-01 , 1.530e-01] + - [2.753e-01 , 1.546e-01] + - [3.020e-01 , 1.570e-01] + - [3.508e-01 , 1.612e-01] + - [4.093e-01 , 1.664e-01] + - [4.247e-01 , 1.677e-01] + - [4.277e-01 , 1.680e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-17.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-17.yaml new file mode 100644 index 0000000..4358e95 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-17.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 350 K + ignition-delay: + - 22.1 ms + pressure: + - 1163 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.725e-01] + - [1.463e-03 , 9.213e-01] + - [3.487e-03 , 8.346e-01] + - [3.744e-03 , 8.141e-01] + - [3.993e-03 , 7.930e-01] + - [4.492e-03 , 7.684e-01] + - [4.746e-03 , 7.544e-01] + - [5.484e-03 , 6.985e-01] + - [5.738e-03 , 6.839e-01] + - [6.237e-03 , 6.470e-01] + - [6.493e-03 , 6.242e-01] + - [6.742e-03 , 6.076e-01] + - [6.988e-03 , 5.897e-01] + - [7.241e-03 , 5.692e-01] + - [7.488e-03 , 5.519e-01] + - [7.741e-03 , 5.324e-01] + - [7.987e-03 , 5.159e-01] + - [8.240e-03 , 4.960e-01] + - [8.487e-03 , 4.805e-01] + - [8.738e-03 , 4.624e-01] + - [8.988e-03 , 4.441e-01] + - [9.238e-03 , 4.263e-01] + - [9.486e-03 , 4.093e-01] + - [9.738e-03 , 3.908e-01] + - [9.987e-03 , 3.732e-01] + - [1.024e-02 , 3.541e-01] + - [1.049e-02 , 3.356e-01] + - [1.074e-02 , 3.174e-01] + - [1.099e-02 , 3.008e-01] + - [1.124e-02 , 2.827e-01] + - [1.149e-02 , 2.644e-01] + - [1.174e-02 , 2.467e-01] + - [1.198e-02 , 2.288e-01] + - [1.223e-02 , 2.107e-01] + - [1.248e-02 , 1.928e-01] + - [1.274e-02 , 1.751e-01] + - [1.299e-02 , 1.602e-01] + - [1.324e-02 , 1.490e-01] + - [1.348e-02 , 1.392e-01] + - [1.374e-02 , 1.295e-01] + - [1.399e-02 , 1.209e-01] + - [1.424e-02 , 1.143e-01] + - [1.449e-02 , 1.110e-01] + - [1.475e-02 , 1.093e-01] + - [1.500e-02 , 1.081e-01] + - [1.552e-02 , 1.066e-01] + - [1.604e-02 , 1.057e-01] + - [1.652e-02 , 1.054e-01] + - [1.699e-02 , 1.055e-01] + - [1.750e-02 , 1.058e-01] + - [1.774e-02 , 1.063e-01] + - [1.827e-02 , 1.070e-01] + - [1.925e-02 , 1.080e-01] + - [2.097e-02 , 1.089e-01] + - [2.200e-02 , 1.097e-01] + - [2.223e-02 , 1.099e-01] + - [2.426e-02 , 1.122e-01] + - [2.530e-02 , 1.130e-01] + - [2.605e-02 , 1.133e-01] + - [2.847e-02 , 1.143e-01] + - [3.023e-02 , 1.157e-01] + - [3.146e-02 , 1.164e-01] + - [3.228e-02 , 1.168e-01] + - [3.443e-02 , 1.173e-01] + - [3.696e-02 , 1.186e-01] + - [3.859e-02 , 1.194e-01] + - [4.099e-02 , 1.198e-01] + - [4.125e-02 , 1.200e-01] + - [4.249e-02 , 1.204e-01] + - [4.275e-02 , 1.206e-01] + - [4.451e-02 , 1.214e-01] + - [4.475e-02 , 1.214e-01] + - [4.817e-02 , 1.223e-01] + - [5.024e-02 , 1.231e-01] + - [6.377e-02 , 1.269e-01] + - [8.027e-02 , 1.310e-01] + - [9.587e-02 , 1.343e-01] + - [1.108e-01 , 1.372e-01] + - [1.175e-01 , 1.383e-01] + - [1.223e-01 , 1.390e-01] + - [1.228e-01 , 1.391e-01] + - [1.391e-01 , 1.415e-01] + - [1.524e-01 , 1.431e-01] + - [1.591e-01 , 1.439e-01] + - [1.717e-01 , 1.451e-01] + - [1.977e-01 , 1.477e-01] + - [1.983e-01 , 1.479e-01] + - [1.990e-01 , 1.477e-01] + - [1.992e-01 , 1.478e-01] + - [2.119e-01 , 1.489e-01] + - [2.191e-01 , 1.497e-01] + - [2.525e-01 , 1.526e-01] + - [2.569e-01 , 1.530e-01] + - [2.753e-01 , 1.546e-01] + - [3.020e-01 , 1.570e-01] + - [3.508e-01 , 1.612e-01] + - [4.093e-01 , 1.664e-01] + - [4.247e-01 , 1.677e-01] + - [4.277e-01 , 1.680e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-18.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-18.yaml new file mode 100644 index 0000000..7e39679 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-18.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 350 K + ignition-delay: + - 28.81 ms + pressure: + - 1166 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.725e-01] + - [1.463e-03 , 9.213e-01] + - [3.487e-03 , 8.346e-01] + - [3.744e-03 , 8.141e-01] + - [3.993e-03 , 7.930e-01] + - [4.492e-03 , 7.684e-01] + - [4.746e-03 , 7.544e-01] + - [5.484e-03 , 6.985e-01] + - [5.738e-03 , 6.839e-01] + - [6.237e-03 , 6.470e-01] + - [6.493e-03 , 6.242e-01] + - [6.742e-03 , 6.076e-01] + - [6.988e-03 , 5.897e-01] + - [7.241e-03 , 5.692e-01] + - [7.488e-03 , 5.519e-01] + - [7.741e-03 , 5.324e-01] + - [7.987e-03 , 5.159e-01] + - [8.240e-03 , 4.960e-01] + - [8.487e-03 , 4.805e-01] + - [8.738e-03 , 4.624e-01] + - [8.988e-03 , 4.441e-01] + - [9.238e-03 , 4.263e-01] + - [9.486e-03 , 4.093e-01] + - [9.738e-03 , 3.908e-01] + - [9.987e-03 , 3.732e-01] + - [1.024e-02 , 3.541e-01] + - [1.049e-02 , 3.356e-01] + - [1.074e-02 , 3.174e-01] + - [1.099e-02 , 3.008e-01] + - [1.124e-02 , 2.827e-01] + - [1.149e-02 , 2.644e-01] + - [1.174e-02 , 2.467e-01] + - [1.198e-02 , 2.288e-01] + - [1.223e-02 , 2.107e-01] + - [1.248e-02 , 1.928e-01] + - [1.274e-02 , 1.751e-01] + - [1.299e-02 , 1.602e-01] + - [1.324e-02 , 1.490e-01] + - [1.348e-02 , 1.392e-01] + - [1.374e-02 , 1.295e-01] + - [1.399e-02 , 1.209e-01] + - [1.424e-02 , 1.143e-01] + - [1.449e-02 , 1.110e-01] + - [1.475e-02 , 1.093e-01] + - [1.500e-02 , 1.081e-01] + - [1.552e-02 , 1.066e-01] + - [1.604e-02 , 1.057e-01] + - [1.652e-02 , 1.054e-01] + - [1.699e-02 , 1.055e-01] + - [1.750e-02 , 1.058e-01] + - [1.774e-02 , 1.063e-01] + - [1.827e-02 , 1.070e-01] + - [1.925e-02 , 1.080e-01] + - [2.097e-02 , 1.089e-01] + - [2.200e-02 , 1.097e-01] + - [2.223e-02 , 1.099e-01] + - [2.426e-02 , 1.122e-01] + - [2.530e-02 , 1.130e-01] + - [2.605e-02 , 1.133e-01] + - [2.847e-02 , 1.143e-01] + - [3.023e-02 , 1.157e-01] + - [3.146e-02 , 1.164e-01] + - [3.228e-02 , 1.168e-01] + - [3.443e-02 , 1.173e-01] + - [3.696e-02 , 1.186e-01] + - [3.859e-02 , 1.194e-01] + - [4.099e-02 , 1.198e-01] + - [4.125e-02 , 1.200e-01] + - [4.249e-02 , 1.204e-01] + - [4.275e-02 , 1.206e-01] + - [4.451e-02 , 1.214e-01] + - [4.475e-02 , 1.214e-01] + - [4.817e-02 , 1.223e-01] + - [5.024e-02 , 1.231e-01] + - [6.377e-02 , 1.269e-01] + - [8.027e-02 , 1.310e-01] + - [9.587e-02 , 1.343e-01] + - [1.108e-01 , 1.372e-01] + - [1.175e-01 , 1.383e-01] + - [1.223e-01 , 1.390e-01] + - [1.228e-01 , 1.391e-01] + - [1.391e-01 , 1.415e-01] + - [1.524e-01 , 1.431e-01] + - [1.591e-01 , 1.439e-01] + - [1.717e-01 , 1.451e-01] + - [1.977e-01 , 1.477e-01] + - [1.983e-01 , 1.479e-01] + - [1.990e-01 , 1.477e-01] + - [1.992e-01 , 1.478e-01] + - [2.119e-01 , 1.489e-01] + - [2.191e-01 , 1.497e-01] + - [2.525e-01 , 1.526e-01] + - [2.569e-01 , 1.530e-01] + - [2.753e-01 , 1.546e-01] + - [3.020e-01 , 1.570e-01] + - [3.508e-01 , 1.612e-01] + - [4.093e-01 , 1.664e-01] + - [4.247e-01 , 1.677e-01] + - [4.277e-01 , 1.680e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-19.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-19.yaml new file mode 100644 index 0000000..27a20a1 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-19.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 345 K + ignition-delay: + - 50.7 ms + pressure: + - 1180 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.725e-01] + - [1.463e-03 , 9.213e-01] + - [3.487e-03 , 8.346e-01] + - [3.744e-03 , 8.141e-01] + - [3.993e-03 , 7.930e-01] + - [4.492e-03 , 7.684e-01] + - [4.746e-03 , 7.544e-01] + - [5.484e-03 , 6.985e-01] + - [5.738e-03 , 6.839e-01] + - [6.237e-03 , 6.470e-01] + - [6.493e-03 , 6.242e-01] + - [6.742e-03 , 6.076e-01] + - [6.988e-03 , 5.897e-01] + - [7.241e-03 , 5.692e-01] + - [7.488e-03 , 5.519e-01] + - [7.741e-03 , 5.324e-01] + - [7.987e-03 , 5.159e-01] + - [8.240e-03 , 4.960e-01] + - [8.487e-03 , 4.805e-01] + - [8.738e-03 , 4.624e-01] + - [8.988e-03 , 4.441e-01] + - [9.238e-03 , 4.263e-01] + - [9.486e-03 , 4.093e-01] + - [9.738e-03 , 3.908e-01] + - [9.987e-03 , 3.732e-01] + - [1.024e-02 , 3.541e-01] + - [1.049e-02 , 3.356e-01] + - [1.074e-02 , 3.174e-01] + - [1.099e-02 , 3.008e-01] + - [1.124e-02 , 2.827e-01] + - [1.149e-02 , 2.644e-01] + - [1.174e-02 , 2.467e-01] + - [1.198e-02 , 2.288e-01] + - [1.223e-02 , 2.107e-01] + - [1.248e-02 , 1.928e-01] + - [1.274e-02 , 1.751e-01] + - [1.299e-02 , 1.602e-01] + - [1.324e-02 , 1.490e-01] + - [1.348e-02 , 1.392e-01] + - [1.374e-02 , 1.295e-01] + - [1.399e-02 , 1.209e-01] + - [1.424e-02 , 1.143e-01] + - [1.449e-02 , 1.110e-01] + - [1.475e-02 , 1.093e-01] + - [1.500e-02 , 1.081e-01] + - [1.552e-02 , 1.066e-01] + - [1.604e-02 , 1.057e-01] + - [1.652e-02 , 1.054e-01] + - [1.699e-02 , 1.055e-01] + - [1.750e-02 , 1.058e-01] + - [1.774e-02 , 1.063e-01] + - [1.827e-02 , 1.070e-01] + - [1.925e-02 , 1.080e-01] + - [2.097e-02 , 1.089e-01] + - [2.200e-02 , 1.097e-01] + - [2.223e-02 , 1.099e-01] + - [2.426e-02 , 1.122e-01] + - [2.530e-02 , 1.130e-01] + - [2.605e-02 , 1.133e-01] + - [2.847e-02 , 1.143e-01] + - [3.023e-02 , 1.157e-01] + - [3.146e-02 , 1.164e-01] + - [3.228e-02 , 1.168e-01] + - [3.443e-02 , 1.173e-01] + - [3.696e-02 , 1.186e-01] + - [3.859e-02 , 1.194e-01] + - [4.099e-02 , 1.198e-01] + - [4.125e-02 , 1.200e-01] + - [4.249e-02 , 1.204e-01] + - [4.275e-02 , 1.206e-01] + - [4.451e-02 , 1.214e-01] + - [4.475e-02 , 1.214e-01] + - [4.817e-02 , 1.223e-01] + - [5.024e-02 , 1.231e-01] + - [6.377e-02 , 1.269e-01] + - [8.027e-02 , 1.310e-01] + - [9.587e-02 , 1.343e-01] + - [1.108e-01 , 1.372e-01] + - [1.175e-01 , 1.383e-01] + - [1.223e-01 , 1.390e-01] + - [1.228e-01 , 1.391e-01] + - [1.391e-01 , 1.415e-01] + - [1.524e-01 , 1.431e-01] + - [1.591e-01 , 1.439e-01] + - [1.717e-01 , 1.451e-01] + - [1.977e-01 , 1.477e-01] + - [1.983e-01 , 1.479e-01] + - [1.990e-01 , 1.477e-01] + - [1.992e-01 , 1.478e-01] + - [2.119e-01 , 1.489e-01] + - [2.191e-01 , 1.497e-01] + - [2.525e-01 , 1.526e-01] + - [2.569e-01 , 1.530e-01] + - [2.753e-01 , 1.546e-01] + - [3.020e-01 , 1.570e-01] + - [3.508e-01 , 1.612e-01] + - [4.093e-01 , 1.664e-01] + - [4.247e-01 , 1.677e-01] + - [4.277e-01 , 1.680e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-2.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-2.yaml new file mode 100644 index 0000000..70421a5 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-2.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 330 K + ignition-delay: + - 283.1 ms + pressure: + - 1164 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.725e-01] + - [1.463e-03 , 9.213e-01] + - [3.487e-03 , 8.346e-01] + - [3.744e-03 , 8.141e-01] + - [3.993e-03 , 7.930e-01] + - [4.492e-03 , 7.684e-01] + - [4.746e-03 , 7.544e-01] + - [5.484e-03 , 6.985e-01] + - [5.738e-03 , 6.839e-01] + - [6.237e-03 , 6.470e-01] + - [6.493e-03 , 6.242e-01] + - [6.742e-03 , 6.076e-01] + - [6.988e-03 , 5.897e-01] + - [7.241e-03 , 5.692e-01] + - [7.488e-03 , 5.519e-01] + - [7.741e-03 , 5.324e-01] + - [7.987e-03 , 5.159e-01] + - [8.240e-03 , 4.960e-01] + - [8.487e-03 , 4.805e-01] + - [8.738e-03 , 4.624e-01] + - [8.988e-03 , 4.441e-01] + - [9.238e-03 , 4.263e-01] + - [9.486e-03 , 4.093e-01] + - [9.738e-03 , 3.908e-01] + - [9.987e-03 , 3.732e-01] + - [1.024e-02 , 3.541e-01] + - [1.049e-02 , 3.356e-01] + - [1.074e-02 , 3.174e-01] + - [1.099e-02 , 3.008e-01] + - [1.124e-02 , 2.827e-01] + - [1.149e-02 , 2.644e-01] + - [1.174e-02 , 2.467e-01] + - [1.198e-02 , 2.288e-01] + - [1.223e-02 , 2.107e-01] + - [1.248e-02 , 1.928e-01] + - [1.274e-02 , 1.751e-01] + - [1.299e-02 , 1.602e-01] + - [1.324e-02 , 1.490e-01] + - [1.348e-02 , 1.392e-01] + - [1.374e-02 , 1.295e-01] + - [1.399e-02 , 1.209e-01] + - [1.424e-02 , 1.143e-01] + - [1.449e-02 , 1.110e-01] + - [1.475e-02 , 1.093e-01] + - [1.500e-02 , 1.081e-01] + - [1.552e-02 , 1.066e-01] + - [1.604e-02 , 1.057e-01] + - [1.652e-02 , 1.054e-01] + - [1.699e-02 , 1.055e-01] + - [1.750e-02 , 1.058e-01] + - [1.774e-02 , 1.063e-01] + - [1.827e-02 , 1.070e-01] + - [1.925e-02 , 1.080e-01] + - [2.097e-02 , 1.089e-01] + - [2.200e-02 , 1.097e-01] + - [2.223e-02 , 1.099e-01] + - [2.426e-02 , 1.122e-01] + - [2.530e-02 , 1.130e-01] + - [2.605e-02 , 1.133e-01] + - [2.847e-02 , 1.143e-01] + - [3.023e-02 , 1.157e-01] + - [3.146e-02 , 1.164e-01] + - [3.228e-02 , 1.168e-01] + - [3.443e-02 , 1.173e-01] + - [3.696e-02 , 1.186e-01] + - [3.859e-02 , 1.194e-01] + - [4.099e-02 , 1.198e-01] + - [4.125e-02 , 1.200e-01] + - [4.249e-02 , 1.204e-01] + - [4.275e-02 , 1.206e-01] + - [4.451e-02 , 1.214e-01] + - [4.475e-02 , 1.214e-01] + - [4.817e-02 , 1.223e-01] + - [5.024e-02 , 1.231e-01] + - [6.377e-02 , 1.269e-01] + - [8.027e-02 , 1.310e-01] + - [9.587e-02 , 1.343e-01] + - [1.108e-01 , 1.372e-01] + - [1.175e-01 , 1.383e-01] + - [1.223e-01 , 1.390e-01] + - [1.228e-01 , 1.391e-01] + - [1.391e-01 , 1.415e-01] + - [1.524e-01 , 1.431e-01] + - [1.591e-01 , 1.439e-01] + - [1.717e-01 , 1.451e-01] + - [1.977e-01 , 1.477e-01] + - [1.983e-01 , 1.479e-01] + - [1.990e-01 , 1.477e-01] + - [1.992e-01 , 1.478e-01] + - [2.119e-01 , 1.489e-01] + - [2.191e-01 , 1.497e-01] + - [2.525e-01 , 1.526e-01] + - [2.569e-01 , 1.530e-01] + - [2.753e-01 , 1.546e-01] + - [3.020e-01 , 1.570e-01] + - [3.508e-01 , 1.612e-01] + - [4.093e-01 , 1.664e-01] + - [4.247e-01 , 1.677e-01] + - [4.277e-01 , 1.680e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-20.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-20.yaml new file mode 100644 index 0000000..163c047 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-20.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 345 K + ignition-delay: + - 67.6 ms + pressure: + - 1180 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.725e-01] + - [1.463e-03 , 9.213e-01] + - [3.487e-03 , 8.346e-01] + - [3.744e-03 , 8.141e-01] + - [3.993e-03 , 7.930e-01] + - [4.492e-03 , 7.684e-01] + - [4.746e-03 , 7.544e-01] + - [5.484e-03 , 6.985e-01] + - [5.738e-03 , 6.839e-01] + - [6.237e-03 , 6.470e-01] + - [6.493e-03 , 6.242e-01] + - [6.742e-03 , 6.076e-01] + - [6.988e-03 , 5.897e-01] + - [7.241e-03 , 5.692e-01] + - [7.488e-03 , 5.519e-01] + - [7.741e-03 , 5.324e-01] + - [7.987e-03 , 5.159e-01] + - [8.240e-03 , 4.960e-01] + - [8.487e-03 , 4.805e-01] + - [8.738e-03 , 4.624e-01] + - [8.988e-03 , 4.441e-01] + - [9.238e-03 , 4.263e-01] + - [9.486e-03 , 4.093e-01] + - [9.738e-03 , 3.908e-01] + - [9.987e-03 , 3.732e-01] + - [1.024e-02 , 3.541e-01] + - [1.049e-02 , 3.356e-01] + - [1.074e-02 , 3.174e-01] + - [1.099e-02 , 3.008e-01] + - [1.124e-02 , 2.827e-01] + - [1.149e-02 , 2.644e-01] + - [1.174e-02 , 2.467e-01] + - [1.198e-02 , 2.288e-01] + - [1.223e-02 , 2.107e-01] + - [1.248e-02 , 1.928e-01] + - [1.274e-02 , 1.751e-01] + - [1.299e-02 , 1.602e-01] + - [1.324e-02 , 1.490e-01] + - [1.348e-02 , 1.392e-01] + - [1.374e-02 , 1.295e-01] + - [1.399e-02 , 1.209e-01] + - [1.424e-02 , 1.143e-01] + - [1.449e-02 , 1.110e-01] + - [1.475e-02 , 1.093e-01] + - [1.500e-02 , 1.081e-01] + - [1.552e-02 , 1.066e-01] + - [1.604e-02 , 1.057e-01] + - [1.652e-02 , 1.054e-01] + - [1.699e-02 , 1.055e-01] + - [1.750e-02 , 1.058e-01] + - [1.774e-02 , 1.063e-01] + - [1.827e-02 , 1.070e-01] + - [1.925e-02 , 1.080e-01] + - [2.097e-02 , 1.089e-01] + - [2.200e-02 , 1.097e-01] + - [2.223e-02 , 1.099e-01] + - [2.426e-02 , 1.122e-01] + - [2.530e-02 , 1.130e-01] + - [2.605e-02 , 1.133e-01] + - [2.847e-02 , 1.143e-01] + - [3.023e-02 , 1.157e-01] + - [3.146e-02 , 1.164e-01] + - [3.228e-02 , 1.168e-01] + - [3.443e-02 , 1.173e-01] + - [3.696e-02 , 1.186e-01] + - [3.859e-02 , 1.194e-01] + - [4.099e-02 , 1.198e-01] + - [4.125e-02 , 1.200e-01] + - [4.249e-02 , 1.204e-01] + - [4.275e-02 , 1.206e-01] + - [4.451e-02 , 1.214e-01] + - [4.475e-02 , 1.214e-01] + - [4.817e-02 , 1.223e-01] + - [5.024e-02 , 1.231e-01] + - [6.377e-02 , 1.269e-01] + - [8.027e-02 , 1.310e-01] + - [9.587e-02 , 1.343e-01] + - [1.108e-01 , 1.372e-01] + - [1.175e-01 , 1.383e-01] + - [1.223e-01 , 1.390e-01] + - [1.228e-01 , 1.391e-01] + - [1.391e-01 , 1.415e-01] + - [1.524e-01 , 1.431e-01] + - [1.591e-01 , 1.439e-01] + - [1.717e-01 , 1.451e-01] + - [1.977e-01 , 1.477e-01] + - [1.983e-01 , 1.479e-01] + - [1.990e-01 , 1.477e-01] + - [1.992e-01 , 1.478e-01] + - [2.119e-01 , 1.489e-01] + - [2.191e-01 , 1.497e-01] + - [2.525e-01 , 1.526e-01] + - [2.569e-01 , 1.530e-01] + - [2.753e-01 , 1.546e-01] + - [3.020e-01 , 1.570e-01] + - [3.508e-01 , 1.612e-01] + - [4.093e-01 , 1.664e-01] + - [4.247e-01 , 1.677e-01] + - [4.277e-01 , 1.680e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-21.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-21.yaml new file mode 100644 index 0000000..25ffb81 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-21.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 345 K + ignition-delay: + - 44.7 ms + pressure: + - 1175 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.725e-01] + - [1.463e-03 , 9.213e-01] + - [3.487e-03 , 8.346e-01] + - [3.744e-03 , 8.141e-01] + - [3.993e-03 , 7.930e-01] + - [4.492e-03 , 7.684e-01] + - [4.746e-03 , 7.544e-01] + - [5.484e-03 , 6.985e-01] + - [5.738e-03 , 6.839e-01] + - [6.237e-03 , 6.470e-01] + - [6.493e-03 , 6.242e-01] + - [6.742e-03 , 6.076e-01] + - [6.988e-03 , 5.897e-01] + - [7.241e-03 , 5.692e-01] + - [7.488e-03 , 5.519e-01] + - [7.741e-03 , 5.324e-01] + - [7.987e-03 , 5.159e-01] + - [8.240e-03 , 4.960e-01] + - [8.487e-03 , 4.805e-01] + - [8.738e-03 , 4.624e-01] + - [8.988e-03 , 4.441e-01] + - [9.238e-03 , 4.263e-01] + - [9.486e-03 , 4.093e-01] + - [9.738e-03 , 3.908e-01] + - [9.987e-03 , 3.732e-01] + - [1.024e-02 , 3.541e-01] + - [1.049e-02 , 3.356e-01] + - [1.074e-02 , 3.174e-01] + - [1.099e-02 , 3.008e-01] + - [1.124e-02 , 2.827e-01] + - [1.149e-02 , 2.644e-01] + - [1.174e-02 , 2.467e-01] + - [1.198e-02 , 2.288e-01] + - [1.223e-02 , 2.107e-01] + - [1.248e-02 , 1.928e-01] + - [1.274e-02 , 1.751e-01] + - [1.299e-02 , 1.602e-01] + - [1.324e-02 , 1.490e-01] + - [1.348e-02 , 1.392e-01] + - [1.374e-02 , 1.295e-01] + - [1.399e-02 , 1.209e-01] + - [1.424e-02 , 1.143e-01] + - [1.449e-02 , 1.110e-01] + - [1.475e-02 , 1.093e-01] + - [1.500e-02 , 1.081e-01] + - [1.552e-02 , 1.066e-01] + - [1.604e-02 , 1.057e-01] + - [1.652e-02 , 1.054e-01] + - [1.699e-02 , 1.055e-01] + - [1.750e-02 , 1.058e-01] + - [1.774e-02 , 1.063e-01] + - [1.827e-02 , 1.070e-01] + - [1.925e-02 , 1.080e-01] + - [2.097e-02 , 1.089e-01] + - [2.200e-02 , 1.097e-01] + - [2.223e-02 , 1.099e-01] + - [2.426e-02 , 1.122e-01] + - [2.530e-02 , 1.130e-01] + - [2.605e-02 , 1.133e-01] + - [2.847e-02 , 1.143e-01] + - [3.023e-02 , 1.157e-01] + - [3.146e-02 , 1.164e-01] + - [3.228e-02 , 1.168e-01] + - [3.443e-02 , 1.173e-01] + - [3.696e-02 , 1.186e-01] + - [3.859e-02 , 1.194e-01] + - [4.099e-02 , 1.198e-01] + - [4.125e-02 , 1.200e-01] + - [4.249e-02 , 1.204e-01] + - [4.275e-02 , 1.206e-01] + - [4.451e-02 , 1.214e-01] + - [4.475e-02 , 1.214e-01] + - [4.817e-02 , 1.223e-01] + - [5.024e-02 , 1.231e-01] + - [6.377e-02 , 1.269e-01] + - [8.027e-02 , 1.310e-01] + - [9.587e-02 , 1.343e-01] + - [1.108e-01 , 1.372e-01] + - [1.175e-01 , 1.383e-01] + - [1.223e-01 , 1.390e-01] + - [1.228e-01 , 1.391e-01] + - [1.391e-01 , 1.415e-01] + - [1.524e-01 , 1.431e-01] + - [1.591e-01 , 1.439e-01] + - [1.717e-01 , 1.451e-01] + - [1.977e-01 , 1.477e-01] + - [1.983e-01 , 1.479e-01] + - [1.990e-01 , 1.477e-01] + - [1.992e-01 , 1.478e-01] + - [2.119e-01 , 1.489e-01] + - [2.191e-01 , 1.497e-01] + - [2.525e-01 , 1.526e-01] + - [2.569e-01 , 1.530e-01] + - [2.753e-01 , 1.546e-01] + - [3.020e-01 , 1.570e-01] + - [3.508e-01 , 1.612e-01] + - [4.093e-01 , 1.664e-01] + - [4.247e-01 , 1.677e-01] + - [4.277e-01 , 1.680e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-3.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-3.yaml new file mode 100644 index 0000000..8173270 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-3.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 330 K + ignition-delay: + - 205.2 ms + pressure: + - 1159 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.725e-01] + - [1.463e-03 , 9.213e-01] + - [3.487e-03 , 8.346e-01] + - [3.744e-03 , 8.141e-01] + - [3.993e-03 , 7.930e-01] + - [4.492e-03 , 7.684e-01] + - [4.746e-03 , 7.544e-01] + - [5.484e-03 , 6.985e-01] + - [5.738e-03 , 6.839e-01] + - [6.237e-03 , 6.470e-01] + - [6.493e-03 , 6.242e-01] + - [6.742e-03 , 6.076e-01] + - [6.988e-03 , 5.897e-01] + - [7.241e-03 , 5.692e-01] + - [7.488e-03 , 5.519e-01] + - [7.741e-03 , 5.324e-01] + - [7.987e-03 , 5.159e-01] + - [8.240e-03 , 4.960e-01] + - [8.487e-03 , 4.805e-01] + - [8.738e-03 , 4.624e-01] + - [8.988e-03 , 4.441e-01] + - [9.238e-03 , 4.263e-01] + - [9.486e-03 , 4.093e-01] + - [9.738e-03 , 3.908e-01] + - [9.987e-03 , 3.732e-01] + - [1.024e-02 , 3.541e-01] + - [1.049e-02 , 3.356e-01] + - [1.074e-02 , 3.174e-01] + - [1.099e-02 , 3.008e-01] + - [1.124e-02 , 2.827e-01] + - [1.149e-02 , 2.644e-01] + - [1.174e-02 , 2.467e-01] + - [1.198e-02 , 2.288e-01] + - [1.223e-02 , 2.107e-01] + - [1.248e-02 , 1.928e-01] + - [1.274e-02 , 1.751e-01] + - [1.299e-02 , 1.602e-01] + - [1.324e-02 , 1.490e-01] + - [1.348e-02 , 1.392e-01] + - [1.374e-02 , 1.295e-01] + - [1.399e-02 , 1.209e-01] + - [1.424e-02 , 1.143e-01] + - [1.449e-02 , 1.110e-01] + - [1.475e-02 , 1.093e-01] + - [1.500e-02 , 1.081e-01] + - [1.552e-02 , 1.066e-01] + - [1.604e-02 , 1.057e-01] + - [1.652e-02 , 1.054e-01] + - [1.699e-02 , 1.055e-01] + - [1.750e-02 , 1.058e-01] + - [1.774e-02 , 1.063e-01] + - [1.827e-02 , 1.070e-01] + - [1.925e-02 , 1.080e-01] + - [2.097e-02 , 1.089e-01] + - [2.200e-02 , 1.097e-01] + - [2.223e-02 , 1.099e-01] + - [2.426e-02 , 1.122e-01] + - [2.530e-02 , 1.130e-01] + - [2.605e-02 , 1.133e-01] + - [2.847e-02 , 1.143e-01] + - [3.023e-02 , 1.157e-01] + - [3.146e-02 , 1.164e-01] + - [3.228e-02 , 1.168e-01] + - [3.443e-02 , 1.173e-01] + - [3.696e-02 , 1.186e-01] + - [3.859e-02 , 1.194e-01] + - [4.099e-02 , 1.198e-01] + - [4.125e-02 , 1.200e-01] + - [4.249e-02 , 1.204e-01] + - [4.275e-02 , 1.206e-01] + - [4.451e-02 , 1.214e-01] + - [4.475e-02 , 1.214e-01] + - [4.817e-02 , 1.223e-01] + - [5.024e-02 , 1.231e-01] + - [6.377e-02 , 1.269e-01] + - [8.027e-02 , 1.310e-01] + - [9.587e-02 , 1.343e-01] + - [1.108e-01 , 1.372e-01] + - [1.175e-01 , 1.383e-01] + - [1.223e-01 , 1.390e-01] + - [1.228e-01 , 1.391e-01] + - [1.391e-01 , 1.415e-01] + - [1.524e-01 , 1.431e-01] + - [1.591e-01 , 1.439e-01] + - [1.717e-01 , 1.451e-01] + - [1.977e-01 , 1.477e-01] + - [1.983e-01 , 1.479e-01] + - [1.990e-01 , 1.477e-01] + - [1.992e-01 , 1.478e-01] + - [2.119e-01 , 1.489e-01] + - [2.191e-01 , 1.497e-01] + - [2.525e-01 , 1.526e-01] + - [2.569e-01 , 1.530e-01] + - [2.753e-01 , 1.546e-01] + - [3.020e-01 , 1.570e-01] + - [3.508e-01 , 1.612e-01] + - [4.093e-01 , 1.664e-01] + - [4.247e-01 , 1.677e-01] + - [4.277e-01 , 1.680e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-4.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-4.yaml new file mode 100644 index 0000000..280ead0 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-4.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 370 K + ignition-delay: + - 4.4 ms + pressure: + - 1165 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.725e-01] + - [1.463e-03 , 9.213e-01] + - [3.487e-03 , 8.346e-01] + - [3.744e-03 , 8.141e-01] + - [3.993e-03 , 7.930e-01] + - [4.492e-03 , 7.684e-01] + - [4.746e-03 , 7.544e-01] + - [5.484e-03 , 6.985e-01] + - [5.738e-03 , 6.839e-01] + - [6.237e-03 , 6.470e-01] + - [6.493e-03 , 6.242e-01] + - [6.742e-03 , 6.076e-01] + - [6.988e-03 , 5.897e-01] + - [7.241e-03 , 5.692e-01] + - [7.488e-03 , 5.519e-01] + - [7.741e-03 , 5.324e-01] + - [7.987e-03 , 5.159e-01] + - [8.240e-03 , 4.960e-01] + - [8.487e-03 , 4.805e-01] + - [8.738e-03 , 4.624e-01] + - [8.988e-03 , 4.441e-01] + - [9.238e-03 , 4.263e-01] + - [9.486e-03 , 4.093e-01] + - [9.738e-03 , 3.908e-01] + - [9.987e-03 , 3.732e-01] + - [1.024e-02 , 3.541e-01] + - [1.049e-02 , 3.356e-01] + - [1.074e-02 , 3.174e-01] + - [1.099e-02 , 3.008e-01] + - [1.124e-02 , 2.827e-01] + - [1.149e-02 , 2.644e-01] + - [1.174e-02 , 2.467e-01] + - [1.198e-02 , 2.288e-01] + - [1.223e-02 , 2.107e-01] + - [1.248e-02 , 1.928e-01] + - [1.274e-02 , 1.751e-01] + - [1.299e-02 , 1.602e-01] + - [1.324e-02 , 1.490e-01] + - [1.348e-02 , 1.392e-01] + - [1.374e-02 , 1.295e-01] + - [1.399e-02 , 1.209e-01] + - [1.424e-02 , 1.143e-01] + - [1.449e-02 , 1.110e-01] + - [1.475e-02 , 1.093e-01] + - [1.500e-02 , 1.081e-01] + - [1.552e-02 , 1.066e-01] + - [1.604e-02 , 1.057e-01] + - [1.652e-02 , 1.054e-01] + - [1.699e-02 , 1.055e-01] + - [1.750e-02 , 1.058e-01] + - [1.774e-02 , 1.063e-01] + - [1.827e-02 , 1.070e-01] + - [1.925e-02 , 1.080e-01] + - [2.097e-02 , 1.089e-01] + - [2.200e-02 , 1.097e-01] + - [2.223e-02 , 1.099e-01] + - [2.426e-02 , 1.122e-01] + - [2.530e-02 , 1.130e-01] + - [2.605e-02 , 1.133e-01] + - [2.847e-02 , 1.143e-01] + - [3.023e-02 , 1.157e-01] + - [3.146e-02 , 1.164e-01] + - [3.228e-02 , 1.168e-01] + - [3.443e-02 , 1.173e-01] + - [3.696e-02 , 1.186e-01] + - [3.859e-02 , 1.194e-01] + - [4.099e-02 , 1.198e-01] + - [4.125e-02 , 1.200e-01] + - [4.249e-02 , 1.204e-01] + - [4.275e-02 , 1.206e-01] + - [4.451e-02 , 1.214e-01] + - [4.475e-02 , 1.214e-01] + - [4.817e-02 , 1.223e-01] + - [5.024e-02 , 1.231e-01] + - [6.377e-02 , 1.269e-01] + - [8.027e-02 , 1.310e-01] + - [9.587e-02 , 1.343e-01] + - [1.108e-01 , 1.372e-01] + - [1.175e-01 , 1.383e-01] + - [1.223e-01 , 1.390e-01] + - [1.228e-01 , 1.391e-01] + - [1.391e-01 , 1.415e-01] + - [1.524e-01 , 1.431e-01] + - [1.591e-01 , 1.439e-01] + - [1.717e-01 , 1.451e-01] + - [1.977e-01 , 1.477e-01] + - [1.983e-01 , 1.479e-01] + - [1.990e-01 , 1.477e-01] + - [1.992e-01 , 1.478e-01] + - [2.119e-01 , 1.489e-01] + - [2.191e-01 , 1.497e-01] + - [2.525e-01 , 1.526e-01] + - [2.569e-01 , 1.530e-01] + - [2.753e-01 , 1.546e-01] + - [3.020e-01 , 1.570e-01] + - [3.508e-01 , 1.612e-01] + - [4.093e-01 , 1.664e-01] + - [4.247e-01 , 1.677e-01] + - [4.277e-01 , 1.680e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-5.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-5.yaml new file mode 100644 index 0000000..984e982 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-5.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 370 K + ignition-delay: + - 3.0 ms + pressure: + - 1160 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.725e-01] + - [1.463e-03 , 9.213e-01] + - [3.487e-03 , 8.346e-01] + - [3.744e-03 , 8.141e-01] + - [3.993e-03 , 7.930e-01] + - [4.492e-03 , 7.684e-01] + - [4.746e-03 , 7.544e-01] + - [5.484e-03 , 6.985e-01] + - [5.738e-03 , 6.839e-01] + - [6.237e-03 , 6.470e-01] + - [6.493e-03 , 6.242e-01] + - [6.742e-03 , 6.076e-01] + - [6.988e-03 , 5.897e-01] + - [7.241e-03 , 5.692e-01] + - [7.488e-03 , 5.519e-01] + - [7.741e-03 , 5.324e-01] + - [7.987e-03 , 5.159e-01] + - [8.240e-03 , 4.960e-01] + - [8.487e-03 , 4.805e-01] + - [8.738e-03 , 4.624e-01] + - [8.988e-03 , 4.441e-01] + - [9.238e-03 , 4.263e-01] + - [9.486e-03 , 4.093e-01] + - [9.738e-03 , 3.908e-01] + - [9.987e-03 , 3.732e-01] + - [1.024e-02 , 3.541e-01] + - [1.049e-02 , 3.356e-01] + - [1.074e-02 , 3.174e-01] + - [1.099e-02 , 3.008e-01] + - [1.124e-02 , 2.827e-01] + - [1.149e-02 , 2.644e-01] + - [1.174e-02 , 2.467e-01] + - [1.198e-02 , 2.288e-01] + - [1.223e-02 , 2.107e-01] + - [1.248e-02 , 1.928e-01] + - [1.274e-02 , 1.751e-01] + - [1.299e-02 , 1.602e-01] + - [1.324e-02 , 1.490e-01] + - [1.348e-02 , 1.392e-01] + - [1.374e-02 , 1.295e-01] + - [1.399e-02 , 1.209e-01] + - [1.424e-02 , 1.143e-01] + - [1.449e-02 , 1.110e-01] + - [1.475e-02 , 1.093e-01] + - [1.500e-02 , 1.081e-01] + - [1.552e-02 , 1.066e-01] + - [1.604e-02 , 1.057e-01] + - [1.652e-02 , 1.054e-01] + - [1.699e-02 , 1.055e-01] + - [1.750e-02 , 1.058e-01] + - [1.774e-02 , 1.063e-01] + - [1.827e-02 , 1.070e-01] + - [1.925e-02 , 1.080e-01] + - [2.097e-02 , 1.089e-01] + - [2.200e-02 , 1.097e-01] + - [2.223e-02 , 1.099e-01] + - [2.426e-02 , 1.122e-01] + - [2.530e-02 , 1.130e-01] + - [2.605e-02 , 1.133e-01] + - [2.847e-02 , 1.143e-01] + - [3.023e-02 , 1.157e-01] + - [3.146e-02 , 1.164e-01] + - [3.228e-02 , 1.168e-01] + - [3.443e-02 , 1.173e-01] + - [3.696e-02 , 1.186e-01] + - [3.859e-02 , 1.194e-01] + - [4.099e-02 , 1.198e-01] + - [4.125e-02 , 1.200e-01] + - [4.249e-02 , 1.204e-01] + - [4.275e-02 , 1.206e-01] + - [4.451e-02 , 1.214e-01] + - [4.475e-02 , 1.214e-01] + - [4.817e-02 , 1.223e-01] + - [5.024e-02 , 1.231e-01] + - [6.377e-02 , 1.269e-01] + - [8.027e-02 , 1.310e-01] + - [9.587e-02 , 1.343e-01] + - [1.108e-01 , 1.372e-01] + - [1.175e-01 , 1.383e-01] + - [1.223e-01 , 1.390e-01] + - [1.228e-01 , 1.391e-01] + - [1.391e-01 , 1.415e-01] + - [1.524e-01 , 1.431e-01] + - [1.591e-01 , 1.439e-01] + - [1.717e-01 , 1.451e-01] + - [1.977e-01 , 1.477e-01] + - [1.983e-01 , 1.479e-01] + - [1.990e-01 , 1.477e-01] + - [1.992e-01 , 1.478e-01] + - [2.119e-01 , 1.489e-01] + - [2.191e-01 , 1.497e-01] + - [2.525e-01 , 1.526e-01] + - [2.569e-01 , 1.530e-01] + - [2.753e-01 , 1.546e-01] + - [3.020e-01 , 1.570e-01] + - [3.508e-01 , 1.612e-01] + - [4.093e-01 , 1.664e-01] + - [4.247e-01 , 1.677e-01] + - [4.277e-01 , 1.680e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-6.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-6.yaml new file mode 100644 index 0000000..defccd1 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-6.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 370 K + ignition-delay: + - 3.0 ms + pressure: + - 1163 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.725e-01] + - [1.463e-03 , 9.213e-01] + - [3.487e-03 , 8.346e-01] + - [3.744e-03 , 8.141e-01] + - [3.993e-03 , 7.930e-01] + - [4.492e-03 , 7.684e-01] + - [4.746e-03 , 7.544e-01] + - [5.484e-03 , 6.985e-01] + - [5.738e-03 , 6.839e-01] + - [6.237e-03 , 6.470e-01] + - [6.493e-03 , 6.242e-01] + - [6.742e-03 , 6.076e-01] + - [6.988e-03 , 5.897e-01] + - [7.241e-03 , 5.692e-01] + - [7.488e-03 , 5.519e-01] + - [7.741e-03 , 5.324e-01] + - [7.987e-03 , 5.159e-01] + - [8.240e-03 , 4.960e-01] + - [8.487e-03 , 4.805e-01] + - [8.738e-03 , 4.624e-01] + - [8.988e-03 , 4.441e-01] + - [9.238e-03 , 4.263e-01] + - [9.486e-03 , 4.093e-01] + - [9.738e-03 , 3.908e-01] + - [9.987e-03 , 3.732e-01] + - [1.024e-02 , 3.541e-01] + - [1.049e-02 , 3.356e-01] + - [1.074e-02 , 3.174e-01] + - [1.099e-02 , 3.008e-01] + - [1.124e-02 , 2.827e-01] + - [1.149e-02 , 2.644e-01] + - [1.174e-02 , 2.467e-01] + - [1.198e-02 , 2.288e-01] + - [1.223e-02 , 2.107e-01] + - [1.248e-02 , 1.928e-01] + - [1.274e-02 , 1.751e-01] + - [1.299e-02 , 1.602e-01] + - [1.324e-02 , 1.490e-01] + - [1.348e-02 , 1.392e-01] + - [1.374e-02 , 1.295e-01] + - [1.399e-02 , 1.209e-01] + - [1.424e-02 , 1.143e-01] + - [1.449e-02 , 1.110e-01] + - [1.475e-02 , 1.093e-01] + - [1.500e-02 , 1.081e-01] + - [1.552e-02 , 1.066e-01] + - [1.604e-02 , 1.057e-01] + - [1.652e-02 , 1.054e-01] + - [1.699e-02 , 1.055e-01] + - [1.750e-02 , 1.058e-01] + - [1.774e-02 , 1.063e-01] + - [1.827e-02 , 1.070e-01] + - [1.925e-02 , 1.080e-01] + - [2.097e-02 , 1.089e-01] + - [2.200e-02 , 1.097e-01] + - [2.223e-02 , 1.099e-01] + - [2.426e-02 , 1.122e-01] + - [2.530e-02 , 1.130e-01] + - [2.605e-02 , 1.133e-01] + - [2.847e-02 , 1.143e-01] + - [3.023e-02 , 1.157e-01] + - [3.146e-02 , 1.164e-01] + - [3.228e-02 , 1.168e-01] + - [3.443e-02 , 1.173e-01] + - [3.696e-02 , 1.186e-01] + - [3.859e-02 , 1.194e-01] + - [4.099e-02 , 1.198e-01] + - [4.125e-02 , 1.200e-01] + - [4.249e-02 , 1.204e-01] + - [4.275e-02 , 1.206e-01] + - [4.451e-02 , 1.214e-01] + - [4.475e-02 , 1.214e-01] + - [4.817e-02 , 1.223e-01] + - [5.024e-02 , 1.231e-01] + - [6.377e-02 , 1.269e-01] + - [8.027e-02 , 1.310e-01] + - [9.587e-02 , 1.343e-01] + - [1.108e-01 , 1.372e-01] + - [1.175e-01 , 1.383e-01] + - [1.223e-01 , 1.390e-01] + - [1.228e-01 , 1.391e-01] + - [1.391e-01 , 1.415e-01] + - [1.524e-01 , 1.431e-01] + - [1.591e-01 , 1.439e-01] + - [1.717e-01 , 1.451e-01] + - [1.977e-01 , 1.477e-01] + - [1.983e-01 , 1.479e-01] + - [1.990e-01 , 1.477e-01] + - [1.992e-01 , 1.478e-01] + - [2.119e-01 , 1.489e-01] + - [2.191e-01 , 1.497e-01] + - [2.525e-01 , 1.526e-01] + - [2.569e-01 , 1.530e-01] + - [2.753e-01 , 1.546e-01] + - [3.020e-01 , 1.570e-01] + - [3.508e-01 , 1.612e-01] + - [4.093e-01 , 1.664e-01] + - [4.247e-01 , 1.677e-01] + - [4.277e-01 , 1.680e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-7.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-7.yaml new file mode 100644 index 0000000..be97da1 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-7.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 365 K + ignition-delay: + - 5.4 ms + pressure: + - 1165 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.725e-01] + - [1.463e-03 , 9.213e-01] + - [3.487e-03 , 8.346e-01] + - [3.744e-03 , 8.141e-01] + - [3.993e-03 , 7.930e-01] + - [4.492e-03 , 7.684e-01] + - [4.746e-03 , 7.544e-01] + - [5.484e-03 , 6.985e-01] + - [5.738e-03 , 6.839e-01] + - [6.237e-03 , 6.470e-01] + - [6.493e-03 , 6.242e-01] + - [6.742e-03 , 6.076e-01] + - [6.988e-03 , 5.897e-01] + - [7.241e-03 , 5.692e-01] + - [7.488e-03 , 5.519e-01] + - [7.741e-03 , 5.324e-01] + - [7.987e-03 , 5.159e-01] + - [8.240e-03 , 4.960e-01] + - [8.487e-03 , 4.805e-01] + - [8.738e-03 , 4.624e-01] + - [8.988e-03 , 4.441e-01] + - [9.238e-03 , 4.263e-01] + - [9.486e-03 , 4.093e-01] + - [9.738e-03 , 3.908e-01] + - [9.987e-03 , 3.732e-01] + - [1.024e-02 , 3.541e-01] + - [1.049e-02 , 3.356e-01] + - [1.074e-02 , 3.174e-01] + - [1.099e-02 , 3.008e-01] + - [1.124e-02 , 2.827e-01] + - [1.149e-02 , 2.644e-01] + - [1.174e-02 , 2.467e-01] + - [1.198e-02 , 2.288e-01] + - [1.223e-02 , 2.107e-01] + - [1.248e-02 , 1.928e-01] + - [1.274e-02 , 1.751e-01] + - [1.299e-02 , 1.602e-01] + - [1.324e-02 , 1.490e-01] + - [1.348e-02 , 1.392e-01] + - [1.374e-02 , 1.295e-01] + - [1.399e-02 , 1.209e-01] + - [1.424e-02 , 1.143e-01] + - [1.449e-02 , 1.110e-01] + - [1.475e-02 , 1.093e-01] + - [1.500e-02 , 1.081e-01] + - [1.552e-02 , 1.066e-01] + - [1.604e-02 , 1.057e-01] + - [1.652e-02 , 1.054e-01] + - [1.699e-02 , 1.055e-01] + - [1.750e-02 , 1.058e-01] + - [1.774e-02 , 1.063e-01] + - [1.827e-02 , 1.070e-01] + - [1.925e-02 , 1.080e-01] + - [2.097e-02 , 1.089e-01] + - [2.200e-02 , 1.097e-01] + - [2.223e-02 , 1.099e-01] + - [2.426e-02 , 1.122e-01] + - [2.530e-02 , 1.130e-01] + - [2.605e-02 , 1.133e-01] + - [2.847e-02 , 1.143e-01] + - [3.023e-02 , 1.157e-01] + - [3.146e-02 , 1.164e-01] + - [3.228e-02 , 1.168e-01] + - [3.443e-02 , 1.173e-01] + - [3.696e-02 , 1.186e-01] + - [3.859e-02 , 1.194e-01] + - [4.099e-02 , 1.198e-01] + - [4.125e-02 , 1.200e-01] + - [4.249e-02 , 1.204e-01] + - [4.275e-02 , 1.206e-01] + - [4.451e-02 , 1.214e-01] + - [4.475e-02 , 1.214e-01] + - [4.817e-02 , 1.223e-01] + - [5.024e-02 , 1.231e-01] + - [6.377e-02 , 1.269e-01] + - [8.027e-02 , 1.310e-01] + - [9.587e-02 , 1.343e-01] + - [1.108e-01 , 1.372e-01] + - [1.175e-01 , 1.383e-01] + - [1.223e-01 , 1.390e-01] + - [1.228e-01 , 1.391e-01] + - [1.391e-01 , 1.415e-01] + - [1.524e-01 , 1.431e-01] + - [1.591e-01 , 1.439e-01] + - [1.717e-01 , 1.451e-01] + - [1.977e-01 , 1.477e-01] + - [1.983e-01 , 1.479e-01] + - [1.990e-01 , 1.477e-01] + - [1.992e-01 , 1.478e-01] + - [2.119e-01 , 1.489e-01] + - [2.191e-01 , 1.497e-01] + - [2.525e-01 , 1.526e-01] + - [2.569e-01 , 1.530e-01] + - [2.753e-01 , 1.546e-01] + - [3.020e-01 , 1.570e-01] + - [3.508e-01 , 1.612e-01] + - [4.093e-01 , 1.664e-01] + - [4.247e-01 , 1.677e-01] + - [4.277e-01 , 1.680e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-8.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-8.yaml new file mode 100644 index 0000000..c4a0958 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-8.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 365 K + ignition-delay: + - 5.8 ms + pressure: + - 1167 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.725e-01] + - [1.463e-03 , 9.213e-01] + - [3.487e-03 , 8.346e-01] + - [3.744e-03 , 8.141e-01] + - [3.993e-03 , 7.930e-01] + - [4.492e-03 , 7.684e-01] + - [4.746e-03 , 7.544e-01] + - [5.484e-03 , 6.985e-01] + - [5.738e-03 , 6.839e-01] + - [6.237e-03 , 6.470e-01] + - [6.493e-03 , 6.242e-01] + - [6.742e-03 , 6.076e-01] + - [6.988e-03 , 5.897e-01] + - [7.241e-03 , 5.692e-01] + - [7.488e-03 , 5.519e-01] + - [7.741e-03 , 5.324e-01] + - [7.987e-03 , 5.159e-01] + - [8.240e-03 , 4.960e-01] + - [8.487e-03 , 4.805e-01] + - [8.738e-03 , 4.624e-01] + - [8.988e-03 , 4.441e-01] + - [9.238e-03 , 4.263e-01] + - [9.486e-03 , 4.093e-01] + - [9.738e-03 , 3.908e-01] + - [9.987e-03 , 3.732e-01] + - [1.024e-02 , 3.541e-01] + - [1.049e-02 , 3.356e-01] + - [1.074e-02 , 3.174e-01] + - [1.099e-02 , 3.008e-01] + - [1.124e-02 , 2.827e-01] + - [1.149e-02 , 2.644e-01] + - [1.174e-02 , 2.467e-01] + - [1.198e-02 , 2.288e-01] + - [1.223e-02 , 2.107e-01] + - [1.248e-02 , 1.928e-01] + - [1.274e-02 , 1.751e-01] + - [1.299e-02 , 1.602e-01] + - [1.324e-02 , 1.490e-01] + - [1.348e-02 , 1.392e-01] + - [1.374e-02 , 1.295e-01] + - [1.399e-02 , 1.209e-01] + - [1.424e-02 , 1.143e-01] + - [1.449e-02 , 1.110e-01] + - [1.475e-02 , 1.093e-01] + - [1.500e-02 , 1.081e-01] + - [1.552e-02 , 1.066e-01] + - [1.604e-02 , 1.057e-01] + - [1.652e-02 , 1.054e-01] + - [1.699e-02 , 1.055e-01] + - [1.750e-02 , 1.058e-01] + - [1.774e-02 , 1.063e-01] + - [1.827e-02 , 1.070e-01] + - [1.925e-02 , 1.080e-01] + - [2.097e-02 , 1.089e-01] + - [2.200e-02 , 1.097e-01] + - [2.223e-02 , 1.099e-01] + - [2.426e-02 , 1.122e-01] + - [2.530e-02 , 1.130e-01] + - [2.605e-02 , 1.133e-01] + - [2.847e-02 , 1.143e-01] + - [3.023e-02 , 1.157e-01] + - [3.146e-02 , 1.164e-01] + - [3.228e-02 , 1.168e-01] + - [3.443e-02 , 1.173e-01] + - [3.696e-02 , 1.186e-01] + - [3.859e-02 , 1.194e-01] + - [4.099e-02 , 1.198e-01] + - [4.125e-02 , 1.200e-01] + - [4.249e-02 , 1.204e-01] + - [4.275e-02 , 1.206e-01] + - [4.451e-02 , 1.214e-01] + - [4.475e-02 , 1.214e-01] + - [4.817e-02 , 1.223e-01] + - [5.024e-02 , 1.231e-01] + - [6.377e-02 , 1.269e-01] + - [8.027e-02 , 1.310e-01] + - [9.587e-02 , 1.343e-01] + - [1.108e-01 , 1.372e-01] + - [1.175e-01 , 1.383e-01] + - [1.223e-01 , 1.390e-01] + - [1.228e-01 , 1.391e-01] + - [1.391e-01 , 1.415e-01] + - [1.524e-01 , 1.431e-01] + - [1.591e-01 , 1.439e-01] + - [1.717e-01 , 1.451e-01] + - [1.977e-01 , 1.477e-01] + - [1.983e-01 , 1.479e-01] + - [1.990e-01 , 1.477e-01] + - [1.992e-01 , 1.478e-01] + - [2.119e-01 , 1.489e-01] + - [2.191e-01 , 1.497e-01] + - [2.525e-01 , 1.526e-01] + - [2.569e-01 , 1.530e-01] + - [2.753e-01 , 1.546e-01] + - [3.020e-01 , 1.570e-01] + - [3.508e-01 , 1.612e-01] + - [4.093e-01 , 1.664e-01] + - [4.247e-01 , 1.677e-01] + - [4.277e-01 , 1.680e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-9.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-9.yaml new file mode 100644 index 0000000..e99dee9 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32a-9.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 365 K + ignition-delay: + - 5.8 ms + pressure: + - 1160 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.725e-01] + - [1.463e-03 , 9.213e-01] + - [3.487e-03 , 8.346e-01] + - [3.744e-03 , 8.141e-01] + - [3.993e-03 , 7.930e-01] + - [4.492e-03 , 7.684e-01] + - [4.746e-03 , 7.544e-01] + - [5.484e-03 , 6.985e-01] + - [5.738e-03 , 6.839e-01] + - [6.237e-03 , 6.470e-01] + - [6.493e-03 , 6.242e-01] + - [6.742e-03 , 6.076e-01] + - [6.988e-03 , 5.897e-01] + - [7.241e-03 , 5.692e-01] + - [7.488e-03 , 5.519e-01] + - [7.741e-03 , 5.324e-01] + - [7.987e-03 , 5.159e-01] + - [8.240e-03 , 4.960e-01] + - [8.487e-03 , 4.805e-01] + - [8.738e-03 , 4.624e-01] + - [8.988e-03 , 4.441e-01] + - [9.238e-03 , 4.263e-01] + - [9.486e-03 , 4.093e-01] + - [9.738e-03 , 3.908e-01] + - [9.987e-03 , 3.732e-01] + - [1.024e-02 , 3.541e-01] + - [1.049e-02 , 3.356e-01] + - [1.074e-02 , 3.174e-01] + - [1.099e-02 , 3.008e-01] + - [1.124e-02 , 2.827e-01] + - [1.149e-02 , 2.644e-01] + - [1.174e-02 , 2.467e-01] + - [1.198e-02 , 2.288e-01] + - [1.223e-02 , 2.107e-01] + - [1.248e-02 , 1.928e-01] + - [1.274e-02 , 1.751e-01] + - [1.299e-02 , 1.602e-01] + - [1.324e-02 , 1.490e-01] + - [1.348e-02 , 1.392e-01] + - [1.374e-02 , 1.295e-01] + - [1.399e-02 , 1.209e-01] + - [1.424e-02 , 1.143e-01] + - [1.449e-02 , 1.110e-01] + - [1.475e-02 , 1.093e-01] + - [1.500e-02 , 1.081e-01] + - [1.552e-02 , 1.066e-01] + - [1.604e-02 , 1.057e-01] + - [1.652e-02 , 1.054e-01] + - [1.699e-02 , 1.055e-01] + - [1.750e-02 , 1.058e-01] + - [1.774e-02 , 1.063e-01] + - [1.827e-02 , 1.070e-01] + - [1.925e-02 , 1.080e-01] + - [2.097e-02 , 1.089e-01] + - [2.200e-02 , 1.097e-01] + - [2.223e-02 , 1.099e-01] + - [2.426e-02 , 1.122e-01] + - [2.530e-02 , 1.130e-01] + - [2.605e-02 , 1.133e-01] + - [2.847e-02 , 1.143e-01] + - [3.023e-02 , 1.157e-01] + - [3.146e-02 , 1.164e-01] + - [3.228e-02 , 1.168e-01] + - [3.443e-02 , 1.173e-01] + - [3.696e-02 , 1.186e-01] + - [3.859e-02 , 1.194e-01] + - [4.099e-02 , 1.198e-01] + - [4.125e-02 , 1.200e-01] + - [4.249e-02 , 1.204e-01] + - [4.275e-02 , 1.206e-01] + - [4.451e-02 , 1.214e-01] + - [4.475e-02 , 1.214e-01] + - [4.817e-02 , 1.223e-01] + - [5.024e-02 , 1.231e-01] + - [6.377e-02 , 1.269e-01] + - [8.027e-02 , 1.310e-01] + - [9.587e-02 , 1.343e-01] + - [1.108e-01 , 1.372e-01] + - [1.175e-01 , 1.383e-01] + - [1.223e-01 , 1.390e-01] + - [1.228e-01 , 1.391e-01] + - [1.391e-01 , 1.415e-01] + - [1.524e-01 , 1.431e-01] + - [1.591e-01 , 1.439e-01] + - [1.717e-01 , 1.451e-01] + - [1.977e-01 , 1.477e-01] + - [1.983e-01 , 1.479e-01] + - [1.990e-01 , 1.477e-01] + - [1.992e-01 , 1.478e-01] + - [2.119e-01 , 1.489e-01] + - [2.191e-01 , 1.497e-01] + - [2.525e-01 , 1.526e-01] + - [2.569e-01 , 1.530e-01] + - [2.753e-01 , 1.546e-01] + - [3.020e-01 , 1.570e-01] + - [3.508e-01 , 1.612e-01] + - [4.093e-01 , 1.664e-01] + - [4.247e-01 , 1.677e-01] + - [4.277e-01 , 1.680e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32b-1.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32b-1.yaml new file mode 100644 index 0000000..4acd449 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32b-1.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 363 K + ignition-delay: + - 9.5 ms + pressure: + - 1200 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.725e-01] + - [1.463e-03 , 9.213e-01] + - [3.487e-03 , 8.346e-01] + - [3.744e-03 , 8.141e-01] + - [3.993e-03 , 7.930e-01] + - [4.492e-03 , 7.684e-01] + - [4.746e-03 , 7.544e-01] + - [5.484e-03 , 6.985e-01] + - [5.738e-03 , 6.839e-01] + - [6.237e-03 , 6.470e-01] + - [6.493e-03 , 6.242e-01] + - [6.742e-03 , 6.076e-01] + - [6.988e-03 , 5.897e-01] + - [7.241e-03 , 5.692e-01] + - [7.488e-03 , 5.519e-01] + - [7.741e-03 , 5.324e-01] + - [7.987e-03 , 5.159e-01] + - [8.240e-03 , 4.960e-01] + - [8.487e-03 , 4.805e-01] + - [8.738e-03 , 4.624e-01] + - [8.988e-03 , 4.441e-01] + - [9.238e-03 , 4.263e-01] + - [9.486e-03 , 4.093e-01] + - [9.738e-03 , 3.908e-01] + - [9.987e-03 , 3.732e-01] + - [1.024e-02 , 3.541e-01] + - [1.049e-02 , 3.356e-01] + - [1.074e-02 , 3.174e-01] + - [1.099e-02 , 3.008e-01] + - [1.124e-02 , 2.827e-01] + - [1.149e-02 , 2.644e-01] + - [1.174e-02 , 2.467e-01] + - [1.198e-02 , 2.288e-01] + - [1.223e-02 , 2.107e-01] + - [1.248e-02 , 1.928e-01] + - [1.274e-02 , 1.751e-01] + - [1.299e-02 , 1.602e-01] + - [1.324e-02 , 1.490e-01] + - [1.348e-02 , 1.392e-01] + - [1.374e-02 , 1.295e-01] + - [1.399e-02 , 1.209e-01] + - [1.424e-02 , 1.143e-01] + - [1.449e-02 , 1.110e-01] + - [1.475e-02 , 1.093e-01] + - [1.500e-02 , 1.081e-01] + - [1.552e-02 , 1.066e-01] + - [1.604e-02 , 1.057e-01] + - [1.652e-02 , 1.054e-01] + - [1.699e-02 , 1.055e-01] + - [1.750e-02 , 1.058e-01] + - [1.774e-02 , 1.063e-01] + - [1.827e-02 , 1.070e-01] + - [1.925e-02 , 1.080e-01] + - [2.097e-02 , 1.089e-01] + - [2.200e-02 , 1.097e-01] + - [2.223e-02 , 1.099e-01] + - [2.426e-02 , 1.122e-01] + - [2.530e-02 , 1.130e-01] + - [2.605e-02 , 1.133e-01] + - [2.847e-02 , 1.143e-01] + - [3.023e-02 , 1.157e-01] + - [3.146e-02 , 1.164e-01] + - [3.228e-02 , 1.168e-01] + - [3.443e-02 , 1.173e-01] + - [3.696e-02 , 1.186e-01] + - [3.859e-02 , 1.194e-01] + - [4.099e-02 , 1.198e-01] + - [4.125e-02 , 1.200e-01] + - [4.249e-02 , 1.204e-01] + - [4.275e-02 , 1.206e-01] + - [4.451e-02 , 1.214e-01] + - [4.475e-02 , 1.214e-01] + - [4.817e-02 , 1.223e-01] + - [5.024e-02 , 1.231e-01] + - [6.377e-02 , 1.269e-01] + - [8.027e-02 , 1.310e-01] + - [9.587e-02 , 1.343e-01] + - [1.108e-01 , 1.372e-01] + - [1.175e-01 , 1.383e-01] + - [1.223e-01 , 1.390e-01] + - [1.228e-01 , 1.391e-01] + - [1.391e-01 , 1.415e-01] + - [1.524e-01 , 1.431e-01] + - [1.591e-01 , 1.439e-01] + - [1.717e-01 , 1.451e-01] + - [1.977e-01 , 1.477e-01] + - [1.983e-01 , 1.479e-01] + - [1.990e-01 , 1.477e-01] + - [1.992e-01 , 1.478e-01] + - [2.119e-01 , 1.489e-01] + - [2.191e-01 , 1.497e-01] + - [2.525e-01 , 1.526e-01] + - [2.569e-01 , 1.530e-01] + - [2.753e-01 , 1.546e-01] + - [3.020e-01 , 1.570e-01] + - [3.508e-01 , 1.612e-01] + - [4.093e-01 , 1.664e-01] + - [4.247e-01 , 1.677e-01] + - [4.277e-01 , 1.680e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32b-10.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32b-10.yaml new file mode 100644 index 0000000..79dbab5 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32b-10.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 359 K + ignition-delay: + - 9.7 ms + pressure: + - 1260 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.725e-01] + - [1.463e-03 , 9.213e-01] + - [3.487e-03 , 8.346e-01] + - [3.744e-03 , 8.141e-01] + - [3.993e-03 , 7.930e-01] + - [4.492e-03 , 7.684e-01] + - [4.746e-03 , 7.544e-01] + - [5.484e-03 , 6.985e-01] + - [5.738e-03 , 6.839e-01] + - [6.237e-03 , 6.470e-01] + - [6.493e-03 , 6.242e-01] + - [6.742e-03 , 6.076e-01] + - [6.988e-03 , 5.897e-01] + - [7.241e-03 , 5.692e-01] + - [7.488e-03 , 5.519e-01] + - [7.741e-03 , 5.324e-01] + - [7.987e-03 , 5.159e-01] + - [8.240e-03 , 4.960e-01] + - [8.487e-03 , 4.805e-01] + - [8.738e-03 , 4.624e-01] + - [8.988e-03 , 4.441e-01] + - [9.238e-03 , 4.263e-01] + - [9.486e-03 , 4.093e-01] + - [9.738e-03 , 3.908e-01] + - [9.987e-03 , 3.732e-01] + - [1.024e-02 , 3.541e-01] + - [1.049e-02 , 3.356e-01] + - [1.074e-02 , 3.174e-01] + - [1.099e-02 , 3.008e-01] + - [1.124e-02 , 2.827e-01] + - [1.149e-02 , 2.644e-01] + - [1.174e-02 , 2.467e-01] + - [1.198e-02 , 2.288e-01] + - [1.223e-02 , 2.107e-01] + - [1.248e-02 , 1.928e-01] + - [1.274e-02 , 1.751e-01] + - [1.299e-02 , 1.602e-01] + - [1.324e-02 , 1.490e-01] + - [1.348e-02 , 1.392e-01] + - [1.374e-02 , 1.295e-01] + - [1.399e-02 , 1.209e-01] + - [1.424e-02 , 1.143e-01] + - [1.449e-02 , 1.110e-01] + - [1.475e-02 , 1.093e-01] + - [1.500e-02 , 1.081e-01] + - [1.552e-02 , 1.066e-01] + - [1.604e-02 , 1.057e-01] + - [1.652e-02 , 1.054e-01] + - [1.699e-02 , 1.055e-01] + - [1.750e-02 , 1.058e-01] + - [1.774e-02 , 1.063e-01] + - [1.827e-02 , 1.070e-01] + - [1.925e-02 , 1.080e-01] + - [2.097e-02 , 1.089e-01] + - [2.200e-02 , 1.097e-01] + - [2.223e-02 , 1.099e-01] + - [2.426e-02 , 1.122e-01] + - [2.530e-02 , 1.130e-01] + - [2.605e-02 , 1.133e-01] + - [2.847e-02 , 1.143e-01] + - [3.023e-02 , 1.157e-01] + - [3.146e-02 , 1.164e-01] + - [3.228e-02 , 1.168e-01] + - [3.443e-02 , 1.173e-01] + - [3.696e-02 , 1.186e-01] + - [3.859e-02 , 1.194e-01] + - [4.099e-02 , 1.198e-01] + - [4.125e-02 , 1.200e-01] + - [4.249e-02 , 1.204e-01] + - [4.275e-02 , 1.206e-01] + - [4.451e-02 , 1.214e-01] + - [4.475e-02 , 1.214e-01] + - [4.817e-02 , 1.223e-01] + - [5.024e-02 , 1.231e-01] + - [6.377e-02 , 1.269e-01] + - [8.027e-02 , 1.310e-01] + - [9.587e-02 , 1.343e-01] + - [1.108e-01 , 1.372e-01] + - [1.175e-01 , 1.383e-01] + - [1.223e-01 , 1.390e-01] + - [1.228e-01 , 1.391e-01] + - [1.391e-01 , 1.415e-01] + - [1.524e-01 , 1.431e-01] + - [1.591e-01 , 1.439e-01] + - [1.717e-01 , 1.451e-01] + - [1.977e-01 , 1.477e-01] + - [1.983e-01 , 1.479e-01] + - [1.990e-01 , 1.477e-01] + - [1.992e-01 , 1.478e-01] + - [2.119e-01 , 1.489e-01] + - [2.191e-01 , 1.497e-01] + - [2.525e-01 , 1.526e-01] + - [2.569e-01 , 1.530e-01] + - [2.753e-01 , 1.546e-01] + - [3.020e-01 , 1.570e-01] + - [3.508e-01 , 1.612e-01] + - [4.093e-01 , 1.664e-01] + - [4.247e-01 , 1.677e-01] + - [4.277e-01 , 1.680e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32b-2.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32b-2.yaml new file mode 100644 index 0000000..033fdf0 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32b-2.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 363 K + ignition-delay: + - 9.1 ms + pressure: + - 1201 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.725e-01] + - [1.463e-03 , 9.213e-01] + - [3.487e-03 , 8.346e-01] + - [3.744e-03 , 8.141e-01] + - [3.993e-03 , 7.930e-01] + - [4.492e-03 , 7.684e-01] + - [4.746e-03 , 7.544e-01] + - [5.484e-03 , 6.985e-01] + - [5.738e-03 , 6.839e-01] + - [6.237e-03 , 6.470e-01] + - [6.493e-03 , 6.242e-01] + - [6.742e-03 , 6.076e-01] + - [6.988e-03 , 5.897e-01] + - [7.241e-03 , 5.692e-01] + - [7.488e-03 , 5.519e-01] + - [7.741e-03 , 5.324e-01] + - [7.987e-03 , 5.159e-01] + - [8.240e-03 , 4.960e-01] + - [8.487e-03 , 4.805e-01] + - [8.738e-03 , 4.624e-01] + - [8.988e-03 , 4.441e-01] + - [9.238e-03 , 4.263e-01] + - [9.486e-03 , 4.093e-01] + - [9.738e-03 , 3.908e-01] + - [9.987e-03 , 3.732e-01] + - [1.024e-02 , 3.541e-01] + - [1.049e-02 , 3.356e-01] + - [1.074e-02 , 3.174e-01] + - [1.099e-02 , 3.008e-01] + - [1.124e-02 , 2.827e-01] + - [1.149e-02 , 2.644e-01] + - [1.174e-02 , 2.467e-01] + - [1.198e-02 , 2.288e-01] + - [1.223e-02 , 2.107e-01] + - [1.248e-02 , 1.928e-01] + - [1.274e-02 , 1.751e-01] + - [1.299e-02 , 1.602e-01] + - [1.324e-02 , 1.490e-01] + - [1.348e-02 , 1.392e-01] + - [1.374e-02 , 1.295e-01] + - [1.399e-02 , 1.209e-01] + - [1.424e-02 , 1.143e-01] + - [1.449e-02 , 1.110e-01] + - [1.475e-02 , 1.093e-01] + - [1.500e-02 , 1.081e-01] + - [1.552e-02 , 1.066e-01] + - [1.604e-02 , 1.057e-01] + - [1.652e-02 , 1.054e-01] + - [1.699e-02 , 1.055e-01] + - [1.750e-02 , 1.058e-01] + - [1.774e-02 , 1.063e-01] + - [1.827e-02 , 1.070e-01] + - [1.925e-02 , 1.080e-01] + - [2.097e-02 , 1.089e-01] + - [2.200e-02 , 1.097e-01] + - [2.223e-02 , 1.099e-01] + - [2.426e-02 , 1.122e-01] + - [2.530e-02 , 1.130e-01] + - [2.605e-02 , 1.133e-01] + - [2.847e-02 , 1.143e-01] + - [3.023e-02 , 1.157e-01] + - [3.146e-02 , 1.164e-01] + - [3.228e-02 , 1.168e-01] + - [3.443e-02 , 1.173e-01] + - [3.696e-02 , 1.186e-01] + - [3.859e-02 , 1.194e-01] + - [4.099e-02 , 1.198e-01] + - [4.125e-02 , 1.200e-01] + - [4.249e-02 , 1.204e-01] + - [4.275e-02 , 1.206e-01] + - [4.451e-02 , 1.214e-01] + - [4.475e-02 , 1.214e-01] + - [4.817e-02 , 1.223e-01] + - [5.024e-02 , 1.231e-01] + - [6.377e-02 , 1.269e-01] + - [8.027e-02 , 1.310e-01] + - [9.587e-02 , 1.343e-01] + - [1.108e-01 , 1.372e-01] + - [1.175e-01 , 1.383e-01] + - [1.223e-01 , 1.390e-01] + - [1.228e-01 , 1.391e-01] + - [1.391e-01 , 1.415e-01] + - [1.524e-01 , 1.431e-01] + - [1.591e-01 , 1.439e-01] + - [1.717e-01 , 1.451e-01] + - [1.977e-01 , 1.477e-01] + - [1.983e-01 , 1.479e-01] + - [1.990e-01 , 1.477e-01] + - [1.992e-01 , 1.478e-01] + - [2.119e-01 , 1.489e-01] + - [2.191e-01 , 1.497e-01] + - [2.525e-01 , 1.526e-01] + - [2.569e-01 , 1.530e-01] + - [2.753e-01 , 1.546e-01] + - [3.020e-01 , 1.570e-01] + - [3.508e-01 , 1.612e-01] + - [4.093e-01 , 1.664e-01] + - [4.247e-01 , 1.677e-01] + - [4.277e-01 , 1.680e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32b-3.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32b-3.yaml new file mode 100644 index 0000000..59fdfe8 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32b-3.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 343 K + ignition-delay: + - 113.5 ms + pressure: + - 1260 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.725e-01] + - [1.463e-03 , 9.213e-01] + - [3.487e-03 , 8.346e-01] + - [3.744e-03 , 8.141e-01] + - [3.993e-03 , 7.930e-01] + - [4.492e-03 , 7.684e-01] + - [4.746e-03 , 7.544e-01] + - [5.484e-03 , 6.985e-01] + - [5.738e-03 , 6.839e-01] + - [6.237e-03 , 6.470e-01] + - [6.493e-03 , 6.242e-01] + - [6.742e-03 , 6.076e-01] + - [6.988e-03 , 5.897e-01] + - [7.241e-03 , 5.692e-01] + - [7.488e-03 , 5.519e-01] + - [7.741e-03 , 5.324e-01] + - [7.987e-03 , 5.159e-01] + - [8.240e-03 , 4.960e-01] + - [8.487e-03 , 4.805e-01] + - [8.738e-03 , 4.624e-01] + - [8.988e-03 , 4.441e-01] + - [9.238e-03 , 4.263e-01] + - [9.486e-03 , 4.093e-01] + - [9.738e-03 , 3.908e-01] + - [9.987e-03 , 3.732e-01] + - [1.024e-02 , 3.541e-01] + - [1.049e-02 , 3.356e-01] + - [1.074e-02 , 3.174e-01] + - [1.099e-02 , 3.008e-01] + - [1.124e-02 , 2.827e-01] + - [1.149e-02 , 2.644e-01] + - [1.174e-02 , 2.467e-01] + - [1.198e-02 , 2.288e-01] + - [1.223e-02 , 2.107e-01] + - [1.248e-02 , 1.928e-01] + - [1.274e-02 , 1.751e-01] + - [1.299e-02 , 1.602e-01] + - [1.324e-02 , 1.490e-01] + - [1.348e-02 , 1.392e-01] + - [1.374e-02 , 1.295e-01] + - [1.399e-02 , 1.209e-01] + - [1.424e-02 , 1.143e-01] + - [1.449e-02 , 1.110e-01] + - [1.475e-02 , 1.093e-01] + - [1.500e-02 , 1.081e-01] + - [1.552e-02 , 1.066e-01] + - [1.604e-02 , 1.057e-01] + - [1.652e-02 , 1.054e-01] + - [1.699e-02 , 1.055e-01] + - [1.750e-02 , 1.058e-01] + - [1.774e-02 , 1.063e-01] + - [1.827e-02 , 1.070e-01] + - [1.925e-02 , 1.080e-01] + - [2.097e-02 , 1.089e-01] + - [2.200e-02 , 1.097e-01] + - [2.223e-02 , 1.099e-01] + - [2.426e-02 , 1.122e-01] + - [2.530e-02 , 1.130e-01] + - [2.605e-02 , 1.133e-01] + - [2.847e-02 , 1.143e-01] + - [3.023e-02 , 1.157e-01] + - [3.146e-02 , 1.164e-01] + - [3.228e-02 , 1.168e-01] + - [3.443e-02 , 1.173e-01] + - [3.696e-02 , 1.186e-01] + - [3.859e-02 , 1.194e-01] + - [4.099e-02 , 1.198e-01] + - [4.125e-02 , 1.200e-01] + - [4.249e-02 , 1.204e-01] + - [4.275e-02 , 1.206e-01] + - [4.451e-02 , 1.214e-01] + - [4.475e-02 , 1.214e-01] + - [4.817e-02 , 1.223e-01] + - [5.024e-02 , 1.231e-01] + - [6.377e-02 , 1.269e-01] + - [8.027e-02 , 1.310e-01] + - [9.587e-02 , 1.343e-01] + - [1.108e-01 , 1.372e-01] + - [1.175e-01 , 1.383e-01] + - [1.223e-01 , 1.390e-01] + - [1.228e-01 , 1.391e-01] + - [1.391e-01 , 1.415e-01] + - [1.524e-01 , 1.431e-01] + - [1.591e-01 , 1.439e-01] + - [1.717e-01 , 1.451e-01] + - [1.977e-01 , 1.477e-01] + - [1.983e-01 , 1.479e-01] + - [1.990e-01 , 1.477e-01] + - [1.992e-01 , 1.478e-01] + - [2.119e-01 , 1.489e-01] + - [2.191e-01 , 1.497e-01] + - [2.525e-01 , 1.526e-01] + - [2.569e-01 , 1.530e-01] + - [2.753e-01 , 1.546e-01] + - [3.020e-01 , 1.570e-01] + - [3.508e-01 , 1.612e-01] + - [4.093e-01 , 1.664e-01] + - [4.247e-01 , 1.677e-01] + - [4.277e-01 , 1.680e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32b-4.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32b-4.yaml new file mode 100644 index 0000000..a75b1b4 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32b-4.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 343 K + ignition-delay: + - 71.2 ms + pressure: + - 1260 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.725e-01] + - [1.463e-03 , 9.213e-01] + - [3.487e-03 , 8.346e-01] + - [3.744e-03 , 8.141e-01] + - [3.993e-03 , 7.930e-01] + - [4.492e-03 , 7.684e-01] + - [4.746e-03 , 7.544e-01] + - [5.484e-03 , 6.985e-01] + - [5.738e-03 , 6.839e-01] + - [6.237e-03 , 6.470e-01] + - [6.493e-03 , 6.242e-01] + - [6.742e-03 , 6.076e-01] + - [6.988e-03 , 5.897e-01] + - [7.241e-03 , 5.692e-01] + - [7.488e-03 , 5.519e-01] + - [7.741e-03 , 5.324e-01] + - [7.987e-03 , 5.159e-01] + - [8.240e-03 , 4.960e-01] + - [8.487e-03 , 4.805e-01] + - [8.738e-03 , 4.624e-01] + - [8.988e-03 , 4.441e-01] + - [9.238e-03 , 4.263e-01] + - [9.486e-03 , 4.093e-01] + - [9.738e-03 , 3.908e-01] + - [9.987e-03 , 3.732e-01] + - [1.024e-02 , 3.541e-01] + - [1.049e-02 , 3.356e-01] + - [1.074e-02 , 3.174e-01] + - [1.099e-02 , 3.008e-01] + - [1.124e-02 , 2.827e-01] + - [1.149e-02 , 2.644e-01] + - [1.174e-02 , 2.467e-01] + - [1.198e-02 , 2.288e-01] + - [1.223e-02 , 2.107e-01] + - [1.248e-02 , 1.928e-01] + - [1.274e-02 , 1.751e-01] + - [1.299e-02 , 1.602e-01] + - [1.324e-02 , 1.490e-01] + - [1.348e-02 , 1.392e-01] + - [1.374e-02 , 1.295e-01] + - [1.399e-02 , 1.209e-01] + - [1.424e-02 , 1.143e-01] + - [1.449e-02 , 1.110e-01] + - [1.475e-02 , 1.093e-01] + - [1.500e-02 , 1.081e-01] + - [1.552e-02 , 1.066e-01] + - [1.604e-02 , 1.057e-01] + - [1.652e-02 , 1.054e-01] + - [1.699e-02 , 1.055e-01] + - [1.750e-02 , 1.058e-01] + - [1.774e-02 , 1.063e-01] + - [1.827e-02 , 1.070e-01] + - [1.925e-02 , 1.080e-01] + - [2.097e-02 , 1.089e-01] + - [2.200e-02 , 1.097e-01] + - [2.223e-02 , 1.099e-01] + - [2.426e-02 , 1.122e-01] + - [2.530e-02 , 1.130e-01] + - [2.605e-02 , 1.133e-01] + - [2.847e-02 , 1.143e-01] + - [3.023e-02 , 1.157e-01] + - [3.146e-02 , 1.164e-01] + - [3.228e-02 , 1.168e-01] + - [3.443e-02 , 1.173e-01] + - [3.696e-02 , 1.186e-01] + - [3.859e-02 , 1.194e-01] + - [4.099e-02 , 1.198e-01] + - [4.125e-02 , 1.200e-01] + - [4.249e-02 , 1.204e-01] + - [4.275e-02 , 1.206e-01] + - [4.451e-02 , 1.214e-01] + - [4.475e-02 , 1.214e-01] + - [4.817e-02 , 1.223e-01] + - [5.024e-02 , 1.231e-01] + - [6.377e-02 , 1.269e-01] + - [8.027e-02 , 1.310e-01] + - [9.587e-02 , 1.343e-01] + - [1.108e-01 , 1.372e-01] + - [1.175e-01 , 1.383e-01] + - [1.223e-01 , 1.390e-01] + - [1.228e-01 , 1.391e-01] + - [1.391e-01 , 1.415e-01] + - [1.524e-01 , 1.431e-01] + - [1.591e-01 , 1.439e-01] + - [1.717e-01 , 1.451e-01] + - [1.977e-01 , 1.477e-01] + - [1.983e-01 , 1.479e-01] + - [1.990e-01 , 1.477e-01] + - [1.992e-01 , 1.478e-01] + - [2.119e-01 , 1.489e-01] + - [2.191e-01 , 1.497e-01] + - [2.525e-01 , 1.526e-01] + - [2.569e-01 , 1.530e-01] + - [2.753e-01 , 1.546e-01] + - [3.020e-01 , 1.570e-01] + - [3.508e-01 , 1.612e-01] + - [4.093e-01 , 1.664e-01] + - [4.247e-01 , 1.677e-01] + - [4.277e-01 , 1.680e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32b-5.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32b-5.yaml new file mode 100644 index 0000000..84e9013 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32b-5.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 343 K + ignition-delay: + - 10.0 ms + pressure: + - 1260 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.725e-01] + - [1.463e-03 , 9.213e-01] + - [3.487e-03 , 8.346e-01] + - [3.744e-03 , 8.141e-01] + - [3.993e-03 , 7.930e-01] + - [4.492e-03 , 7.684e-01] + - [4.746e-03 , 7.544e-01] + - [5.484e-03 , 6.985e-01] + - [5.738e-03 , 6.839e-01] + - [6.237e-03 , 6.470e-01] + - [6.493e-03 , 6.242e-01] + - [6.742e-03 , 6.076e-01] + - [6.988e-03 , 5.897e-01] + - [7.241e-03 , 5.692e-01] + - [7.488e-03 , 5.519e-01] + - [7.741e-03 , 5.324e-01] + - [7.987e-03 , 5.159e-01] + - [8.240e-03 , 4.960e-01] + - [8.487e-03 , 4.805e-01] + - [8.738e-03 , 4.624e-01] + - [8.988e-03 , 4.441e-01] + - [9.238e-03 , 4.263e-01] + - [9.486e-03 , 4.093e-01] + - [9.738e-03 , 3.908e-01] + - [9.987e-03 , 3.732e-01] + - [1.024e-02 , 3.541e-01] + - [1.049e-02 , 3.356e-01] + - [1.074e-02 , 3.174e-01] + - [1.099e-02 , 3.008e-01] + - [1.124e-02 , 2.827e-01] + - [1.149e-02 , 2.644e-01] + - [1.174e-02 , 2.467e-01] + - [1.198e-02 , 2.288e-01] + - [1.223e-02 , 2.107e-01] + - [1.248e-02 , 1.928e-01] + - [1.274e-02 , 1.751e-01] + - [1.299e-02 , 1.602e-01] + - [1.324e-02 , 1.490e-01] + - [1.348e-02 , 1.392e-01] + - [1.374e-02 , 1.295e-01] + - [1.399e-02 , 1.209e-01] + - [1.424e-02 , 1.143e-01] + - [1.449e-02 , 1.110e-01] + - [1.475e-02 , 1.093e-01] + - [1.500e-02 , 1.081e-01] + - [1.552e-02 , 1.066e-01] + - [1.604e-02 , 1.057e-01] + - [1.652e-02 , 1.054e-01] + - [1.699e-02 , 1.055e-01] + - [1.750e-02 , 1.058e-01] + - [1.774e-02 , 1.063e-01] + - [1.827e-02 , 1.070e-01] + - [1.925e-02 , 1.080e-01] + - [2.097e-02 , 1.089e-01] + - [2.200e-02 , 1.097e-01] + - [2.223e-02 , 1.099e-01] + - [2.426e-02 , 1.122e-01] + - [2.530e-02 , 1.130e-01] + - [2.605e-02 , 1.133e-01] + - [2.847e-02 , 1.143e-01] + - [3.023e-02 , 1.157e-01] + - [3.146e-02 , 1.164e-01] + - [3.228e-02 , 1.168e-01] + - [3.443e-02 , 1.173e-01] + - [3.696e-02 , 1.186e-01] + - [3.859e-02 , 1.194e-01] + - [4.099e-02 , 1.198e-01] + - [4.125e-02 , 1.200e-01] + - [4.249e-02 , 1.204e-01] + - [4.275e-02 , 1.206e-01] + - [4.451e-02 , 1.214e-01] + - [4.475e-02 , 1.214e-01] + - [4.817e-02 , 1.223e-01] + - [5.024e-02 , 1.231e-01] + - [6.377e-02 , 1.269e-01] + - [8.027e-02 , 1.310e-01] + - [9.587e-02 , 1.343e-01] + - [1.108e-01 , 1.372e-01] + - [1.175e-01 , 1.383e-01] + - [1.223e-01 , 1.390e-01] + - [1.228e-01 , 1.391e-01] + - [1.391e-01 , 1.415e-01] + - [1.524e-01 , 1.431e-01] + - [1.591e-01 , 1.439e-01] + - [1.717e-01 , 1.451e-01] + - [1.977e-01 , 1.477e-01] + - [1.983e-01 , 1.479e-01] + - [1.990e-01 , 1.477e-01] + - [1.992e-01 , 1.478e-01] + - [2.119e-01 , 1.489e-01] + - [2.191e-01 , 1.497e-01] + - [2.525e-01 , 1.526e-01] + - [2.569e-01 , 1.530e-01] + - [2.753e-01 , 1.546e-01] + - [3.020e-01 , 1.570e-01] + - [3.508e-01 , 1.612e-01] + - [4.093e-01 , 1.664e-01] + - [4.247e-01 , 1.677e-01] + - [4.277e-01 , 1.680e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32b-6.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32b-6.yaml new file mode 100644 index 0000000..1d6427b --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32b-6.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 349 K + ignition-delay: + - 11.39 ms + pressure: + - 1260 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.725e-01] + - [1.463e-03 , 9.213e-01] + - [3.487e-03 , 8.346e-01] + - [3.744e-03 , 8.141e-01] + - [3.993e-03 , 7.930e-01] + - [4.492e-03 , 7.684e-01] + - [4.746e-03 , 7.544e-01] + - [5.484e-03 , 6.985e-01] + - [5.738e-03 , 6.839e-01] + - [6.237e-03 , 6.470e-01] + - [6.493e-03 , 6.242e-01] + - [6.742e-03 , 6.076e-01] + - [6.988e-03 , 5.897e-01] + - [7.241e-03 , 5.692e-01] + - [7.488e-03 , 5.519e-01] + - [7.741e-03 , 5.324e-01] + - [7.987e-03 , 5.159e-01] + - [8.240e-03 , 4.960e-01] + - [8.487e-03 , 4.805e-01] + - [8.738e-03 , 4.624e-01] + - [8.988e-03 , 4.441e-01] + - [9.238e-03 , 4.263e-01] + - [9.486e-03 , 4.093e-01] + - [9.738e-03 , 3.908e-01] + - [9.987e-03 , 3.732e-01] + - [1.024e-02 , 3.541e-01] + - [1.049e-02 , 3.356e-01] + - [1.074e-02 , 3.174e-01] + - [1.099e-02 , 3.008e-01] + - [1.124e-02 , 2.827e-01] + - [1.149e-02 , 2.644e-01] + - [1.174e-02 , 2.467e-01] + - [1.198e-02 , 2.288e-01] + - [1.223e-02 , 2.107e-01] + - [1.248e-02 , 1.928e-01] + - [1.274e-02 , 1.751e-01] + - [1.299e-02 , 1.602e-01] + - [1.324e-02 , 1.490e-01] + - [1.348e-02 , 1.392e-01] + - [1.374e-02 , 1.295e-01] + - [1.399e-02 , 1.209e-01] + - [1.424e-02 , 1.143e-01] + - [1.449e-02 , 1.110e-01] + - [1.475e-02 , 1.093e-01] + - [1.500e-02 , 1.081e-01] + - [1.552e-02 , 1.066e-01] + - [1.604e-02 , 1.057e-01] + - [1.652e-02 , 1.054e-01] + - [1.699e-02 , 1.055e-01] + - [1.750e-02 , 1.058e-01] + - [1.774e-02 , 1.063e-01] + - [1.827e-02 , 1.070e-01] + - [1.925e-02 , 1.080e-01] + - [2.097e-02 , 1.089e-01] + - [2.200e-02 , 1.097e-01] + - [2.223e-02 , 1.099e-01] + - [2.426e-02 , 1.122e-01] + - [2.530e-02 , 1.130e-01] + - [2.605e-02 , 1.133e-01] + - [2.847e-02 , 1.143e-01] + - [3.023e-02 , 1.157e-01] + - [3.146e-02 , 1.164e-01] + - [3.228e-02 , 1.168e-01] + - [3.443e-02 , 1.173e-01] + - [3.696e-02 , 1.186e-01] + - [3.859e-02 , 1.194e-01] + - [4.099e-02 , 1.198e-01] + - [4.125e-02 , 1.200e-01] + - [4.249e-02 , 1.204e-01] + - [4.275e-02 , 1.206e-01] + - [4.451e-02 , 1.214e-01] + - [4.475e-02 , 1.214e-01] + - [4.817e-02 , 1.223e-01] + - [5.024e-02 , 1.231e-01] + - [6.377e-02 , 1.269e-01] + - [8.027e-02 , 1.310e-01] + - [9.587e-02 , 1.343e-01] + - [1.108e-01 , 1.372e-01] + - [1.175e-01 , 1.383e-01] + - [1.223e-01 , 1.390e-01] + - [1.228e-01 , 1.391e-01] + - [1.391e-01 , 1.415e-01] + - [1.524e-01 , 1.431e-01] + - [1.591e-01 , 1.439e-01] + - [1.717e-01 , 1.451e-01] + - [1.977e-01 , 1.477e-01] + - [1.983e-01 , 1.479e-01] + - [1.990e-01 , 1.477e-01] + - [1.992e-01 , 1.478e-01] + - [2.119e-01 , 1.489e-01] + - [2.191e-01 , 1.497e-01] + - [2.525e-01 , 1.526e-01] + - [2.569e-01 , 1.530e-01] + - [2.753e-01 , 1.546e-01] + - [3.020e-01 , 1.570e-01] + - [3.508e-01 , 1.612e-01] + - [4.093e-01 , 1.664e-01] + - [4.247e-01 , 1.677e-01] + - [4.277e-01 , 1.680e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32b-7.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32b-7.yaml new file mode 100644 index 0000000..2ffd9ca --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32b-7.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 349 K + ignition-delay: + - 69.7 ms + pressure: + - 1260 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.725e-01] + - [1.463e-03 , 9.213e-01] + - [3.487e-03 , 8.346e-01] + - [3.744e-03 , 8.141e-01] + - [3.993e-03 , 7.930e-01] + - [4.492e-03 , 7.684e-01] + - [4.746e-03 , 7.544e-01] + - [5.484e-03 , 6.985e-01] + - [5.738e-03 , 6.839e-01] + - [6.237e-03 , 6.470e-01] + - [6.493e-03 , 6.242e-01] + - [6.742e-03 , 6.076e-01] + - [6.988e-03 , 5.897e-01] + - [7.241e-03 , 5.692e-01] + - [7.488e-03 , 5.519e-01] + - [7.741e-03 , 5.324e-01] + - [7.987e-03 , 5.159e-01] + - [8.240e-03 , 4.960e-01] + - [8.487e-03 , 4.805e-01] + - [8.738e-03 , 4.624e-01] + - [8.988e-03 , 4.441e-01] + - [9.238e-03 , 4.263e-01] + - [9.486e-03 , 4.093e-01] + - [9.738e-03 , 3.908e-01] + - [9.987e-03 , 3.732e-01] + - [1.024e-02 , 3.541e-01] + - [1.049e-02 , 3.356e-01] + - [1.074e-02 , 3.174e-01] + - [1.099e-02 , 3.008e-01] + - [1.124e-02 , 2.827e-01] + - [1.149e-02 , 2.644e-01] + - [1.174e-02 , 2.467e-01] + - [1.198e-02 , 2.288e-01] + - [1.223e-02 , 2.107e-01] + - [1.248e-02 , 1.928e-01] + - [1.274e-02 , 1.751e-01] + - [1.299e-02 , 1.602e-01] + - [1.324e-02 , 1.490e-01] + - [1.348e-02 , 1.392e-01] + - [1.374e-02 , 1.295e-01] + - [1.399e-02 , 1.209e-01] + - [1.424e-02 , 1.143e-01] + - [1.449e-02 , 1.110e-01] + - [1.475e-02 , 1.093e-01] + - [1.500e-02 , 1.081e-01] + - [1.552e-02 , 1.066e-01] + - [1.604e-02 , 1.057e-01] + - [1.652e-02 , 1.054e-01] + - [1.699e-02 , 1.055e-01] + - [1.750e-02 , 1.058e-01] + - [1.774e-02 , 1.063e-01] + - [1.827e-02 , 1.070e-01] + - [1.925e-02 , 1.080e-01] + - [2.097e-02 , 1.089e-01] + - [2.200e-02 , 1.097e-01] + - [2.223e-02 , 1.099e-01] + - [2.426e-02 , 1.122e-01] + - [2.530e-02 , 1.130e-01] + - [2.605e-02 , 1.133e-01] + - [2.847e-02 , 1.143e-01] + - [3.023e-02 , 1.157e-01] + - [3.146e-02 , 1.164e-01] + - [3.228e-02 , 1.168e-01] + - [3.443e-02 , 1.173e-01] + - [3.696e-02 , 1.186e-01] + - [3.859e-02 , 1.194e-01] + - [4.099e-02 , 1.198e-01] + - [4.125e-02 , 1.200e-01] + - [4.249e-02 , 1.204e-01] + - [4.275e-02 , 1.206e-01] + - [4.451e-02 , 1.214e-01] + - [4.475e-02 , 1.214e-01] + - [4.817e-02 , 1.223e-01] + - [5.024e-02 , 1.231e-01] + - [6.377e-02 , 1.269e-01] + - [8.027e-02 , 1.310e-01] + - [9.587e-02 , 1.343e-01] + - [1.108e-01 , 1.372e-01] + - [1.175e-01 , 1.383e-01] + - [1.223e-01 , 1.390e-01] + - [1.228e-01 , 1.391e-01] + - [1.391e-01 , 1.415e-01] + - [1.524e-01 , 1.431e-01] + - [1.591e-01 , 1.439e-01] + - [1.717e-01 , 1.451e-01] + - [1.977e-01 , 1.477e-01] + - [1.983e-01 , 1.479e-01] + - [1.990e-01 , 1.477e-01] + - [1.992e-01 , 1.478e-01] + - [2.119e-01 , 1.489e-01] + - [2.191e-01 , 1.497e-01] + - [2.525e-01 , 1.526e-01] + - [2.569e-01 , 1.530e-01] + - [2.753e-01 , 1.546e-01] + - [3.020e-01 , 1.570e-01] + - [3.508e-01 , 1.612e-01] + - [4.093e-01 , 1.664e-01] + - [4.247e-01 , 1.677e-01] + - [4.277e-01 , 1.680e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32b-8.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32b-8.yaml new file mode 100644 index 0000000..4155f7a --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32b-8.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 354 K + ignition-delay: + - 27.3 ms + pressure: + - 1260 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.725e-01] + - [1.463e-03 , 9.213e-01] + - [3.487e-03 , 8.346e-01] + - [3.744e-03 , 8.141e-01] + - [3.993e-03 , 7.930e-01] + - [4.492e-03 , 7.684e-01] + - [4.746e-03 , 7.544e-01] + - [5.484e-03 , 6.985e-01] + - [5.738e-03 , 6.839e-01] + - [6.237e-03 , 6.470e-01] + - [6.493e-03 , 6.242e-01] + - [6.742e-03 , 6.076e-01] + - [6.988e-03 , 5.897e-01] + - [7.241e-03 , 5.692e-01] + - [7.488e-03 , 5.519e-01] + - [7.741e-03 , 5.324e-01] + - [7.987e-03 , 5.159e-01] + - [8.240e-03 , 4.960e-01] + - [8.487e-03 , 4.805e-01] + - [8.738e-03 , 4.624e-01] + - [8.988e-03 , 4.441e-01] + - [9.238e-03 , 4.263e-01] + - [9.486e-03 , 4.093e-01] + - [9.738e-03 , 3.908e-01] + - [9.987e-03 , 3.732e-01] + - [1.024e-02 , 3.541e-01] + - [1.049e-02 , 3.356e-01] + - [1.074e-02 , 3.174e-01] + - [1.099e-02 , 3.008e-01] + - [1.124e-02 , 2.827e-01] + - [1.149e-02 , 2.644e-01] + - [1.174e-02 , 2.467e-01] + - [1.198e-02 , 2.288e-01] + - [1.223e-02 , 2.107e-01] + - [1.248e-02 , 1.928e-01] + - [1.274e-02 , 1.751e-01] + - [1.299e-02 , 1.602e-01] + - [1.324e-02 , 1.490e-01] + - [1.348e-02 , 1.392e-01] + - [1.374e-02 , 1.295e-01] + - [1.399e-02 , 1.209e-01] + - [1.424e-02 , 1.143e-01] + - [1.449e-02 , 1.110e-01] + - [1.475e-02 , 1.093e-01] + - [1.500e-02 , 1.081e-01] + - [1.552e-02 , 1.066e-01] + - [1.604e-02 , 1.057e-01] + - [1.652e-02 , 1.054e-01] + - [1.699e-02 , 1.055e-01] + - [1.750e-02 , 1.058e-01] + - [1.774e-02 , 1.063e-01] + - [1.827e-02 , 1.070e-01] + - [1.925e-02 , 1.080e-01] + - [2.097e-02 , 1.089e-01] + - [2.200e-02 , 1.097e-01] + - [2.223e-02 , 1.099e-01] + - [2.426e-02 , 1.122e-01] + - [2.530e-02 , 1.130e-01] + - [2.605e-02 , 1.133e-01] + - [2.847e-02 , 1.143e-01] + - [3.023e-02 , 1.157e-01] + - [3.146e-02 , 1.164e-01] + - [3.228e-02 , 1.168e-01] + - [3.443e-02 , 1.173e-01] + - [3.696e-02 , 1.186e-01] + - [3.859e-02 , 1.194e-01] + - [4.099e-02 , 1.198e-01] + - [4.125e-02 , 1.200e-01] + - [4.249e-02 , 1.204e-01] + - [4.275e-02 , 1.206e-01] + - [4.451e-02 , 1.214e-01] + - [4.475e-02 , 1.214e-01] + - [4.817e-02 , 1.223e-01] + - [5.024e-02 , 1.231e-01] + - [6.377e-02 , 1.269e-01] + - [8.027e-02 , 1.310e-01] + - [9.587e-02 , 1.343e-01] + - [1.108e-01 , 1.372e-01] + - [1.175e-01 , 1.383e-01] + - [1.223e-01 , 1.390e-01] + - [1.228e-01 , 1.391e-01] + - [1.391e-01 , 1.415e-01] + - [1.524e-01 , 1.431e-01] + - [1.591e-01 , 1.439e-01] + - [1.717e-01 , 1.451e-01] + - [1.977e-01 , 1.477e-01] + - [1.983e-01 , 1.479e-01] + - [1.990e-01 , 1.477e-01] + - [1.992e-01 , 1.478e-01] + - [2.119e-01 , 1.489e-01] + - [2.191e-01 , 1.497e-01] + - [2.525e-01 , 1.526e-01] + - [2.569e-01 , 1.530e-01] + - [2.753e-01 , 1.546e-01] + - [3.020e-01 , 1.570e-01] + - [3.508e-01 , 1.612e-01] + - [4.093e-01 , 1.664e-01] + - [4.247e-01 , 1.677e-01] + - [4.277e-01 , 1.680e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32b-9.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32b-9.yaml new file mode 100644 index 0000000..420b1ca --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32b-9.yaml @@ -0,0 +1,174 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 354 K + ignition-delay: + - 2.5 ms + pressure: + - 1260 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.725e-01] + - [1.463e-03 , 9.213e-01] + - [3.487e-03 , 8.346e-01] + - [3.744e-03 , 8.141e-01] + - [3.993e-03 , 7.930e-01] + - [4.492e-03 , 7.684e-01] + - [4.746e-03 , 7.544e-01] + - [5.484e-03 , 6.985e-01] + - [5.738e-03 , 6.839e-01] + - [6.237e-03 , 6.470e-01] + - [6.493e-03 , 6.242e-01] + - [6.742e-03 , 6.076e-01] + - [6.988e-03 , 5.897e-01] + - [7.241e-03 , 5.692e-01] + - [7.488e-03 , 5.519e-01] + - [7.741e-03 , 5.324e-01] + - [7.987e-03 , 5.159e-01] + - [8.240e-03 , 4.960e-01] + - [8.487e-03 , 4.805e-01] + - [8.738e-03 , 4.624e-01] + - [8.988e-03 , 4.441e-01] + - [9.238e-03 , 4.263e-01] + - [9.486e-03 , 4.093e-01] + - [9.738e-03 , 3.908e-01] + - [9.987e-03 , 3.732e-01] + - [1.024e-02 , 3.541e-01] + - [1.049e-02 , 3.356e-01] + - [1.074e-02 , 3.174e-01] + - [1.099e-02 , 3.008e-01] + - [1.124e-02 , 2.827e-01] + - [1.149e-02 , 2.644e-01] + - [1.174e-02 , 2.467e-01] + - [1.198e-02 , 2.288e-01] + - [1.223e-02 , 2.107e-01] + - [1.248e-02 , 1.928e-01] + - [1.274e-02 , 1.751e-01] + - [1.299e-02 , 1.602e-01] + - [1.324e-02 , 1.490e-01] + - [1.348e-02 , 1.392e-01] + - [1.374e-02 , 1.295e-01] + - [1.399e-02 , 1.209e-01] + - [1.424e-02 , 1.143e-01] + - [1.449e-02 , 1.110e-01] + - [1.475e-02 , 1.093e-01] + - [1.500e-02 , 1.081e-01] + - [1.552e-02 , 1.066e-01] + - [1.604e-02 , 1.057e-01] + - [1.652e-02 , 1.054e-01] + - [1.699e-02 , 1.055e-01] + - [1.750e-02 , 1.058e-01] + - [1.774e-02 , 1.063e-01] + - [1.827e-02 , 1.070e-01] + - [1.925e-02 , 1.080e-01] + - [2.097e-02 , 1.089e-01] + - [2.200e-02 , 1.097e-01] + - [2.223e-02 , 1.099e-01] + - [2.426e-02 , 1.122e-01] + - [2.530e-02 , 1.130e-01] + - [2.605e-02 , 1.133e-01] + - [2.847e-02 , 1.143e-01] + - [3.023e-02 , 1.157e-01] + - [3.146e-02 , 1.164e-01] + - [3.228e-02 , 1.168e-01] + - [3.443e-02 , 1.173e-01] + - [3.696e-02 , 1.186e-01] + - [3.859e-02 , 1.194e-01] + - [4.099e-02 , 1.198e-01] + - [4.125e-02 , 1.200e-01] + - [4.249e-02 , 1.204e-01] + - [4.275e-02 , 1.206e-01] + - [4.451e-02 , 1.214e-01] + - [4.475e-02 , 1.214e-01] + - [4.817e-02 , 1.223e-01] + - [5.024e-02 , 1.231e-01] + - [6.377e-02 , 1.269e-01] + - [8.027e-02 , 1.310e-01] + - [9.587e-02 , 1.343e-01] + - [1.108e-01 , 1.372e-01] + - [1.175e-01 , 1.383e-01] + - [1.223e-01 , 1.390e-01] + - [1.228e-01 , 1.391e-01] + - [1.391e-01 , 1.415e-01] + - [1.524e-01 , 1.431e-01] + - [1.591e-01 , 1.439e-01] + - [1.717e-01 , 1.451e-01] + - [1.977e-01 , 1.477e-01] + - [1.983e-01 , 1.479e-01] + - [1.990e-01 , 1.477e-01] + - [1.992e-01 , 1.478e-01] + - [2.119e-01 , 1.489e-01] + - [2.191e-01 , 1.497e-01] + - [2.525e-01 , 1.526e-01] + - [2.569e-01 , 1.530e-01] + - [2.753e-01 , 1.546e-01] + - [3.020e-01 , 1.570e-01] + - [3.508e-01 , 1.612e-01] + - [4.093e-01 , 1.664e-01] + - [4.247e-01 , 1.677e-01] + - [4.277e-01 , 1.680e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-1.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-1.yaml new file mode 100644 index 0000000..09522de --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-1.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 345 K + ignition-delay: + - 39.6 ms + pressure: + - 546 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.03470 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.03470 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.46530 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.46530 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.886e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.544e-01] + - [3.496e-03 , 9.106e-01] + - [3.759e-03 , 8.944e-01] + - [3.998e-03 , 8.853e-01] + - [4.259e-03 , 8.700e-01] + - [4.496e-03 , 8.605e-01] + - [5.746e-03 , 7.813e-01] + - [5.993e-03 , 7.655e-01] + - [6.249e-03 , 7.446e-01] + - [6.745e-03 , 7.095e-01] + - [6.995e-03 , 6.910e-01] + - [7.495e-03 , 6.509e-01] + - [7.745e-03 , 6.316e-01] + - [8.242e-03 , 5.921e-01] + - [8.497e-03 , 5.717e-01] + - [8.746e-03 , 5.525e-01] + - [9.246e-03 , 5.121e-01] + - [9.494e-03 , 4.937e-01] + - [9.746e-03 , 4.739e-01] + - [1.024e-02 , 4.356e-01] + - [1.050e-02 , 4.159e-01] + - [1.074e-02 , 3.969e-01] + - [1.100e-02 , 3.769e-01] + - [1.124e-02 , 3.581e-01] + - [1.149e-02 , 3.382e-01] + - [1.174e-02 , 3.180e-01] + - [1.199e-02 , 2.979e-01] + - [1.224e-02 , 2.782e-01] + - [1.249e-02 , 2.581e-01] + - [1.274e-02 , 2.381e-01] + - [1.299e-02 , 2.181e-01] + - [1.349e-02 , 1.850e-01] + - [1.374e-02 , 1.729e-01] + - [1.399e-02 , 1.619e-01] + - [1.424e-02 , 1.511e-01] + - [1.449e-02 , 1.398e-01] + - [1.474e-02 , 1.288e-01] + - [1.499e-02 , 1.187e-01] + - [1.525e-02 , 1.123e-01] + - [1.550e-02 , 1.092e-01] + - [1.576e-02 , 1.078e-01] + - [1.601e-02 , 1.071e-01] + - [1.701e-02 , 1.051e-01] + - [1.724e-02 , 1.049e-01] + - [1.803e-02 , 1.061e-01] + - [1.880e-02 , 1.071e-01] + - [2.005e-02 , 1.080e-01] + - [2.101e-02 , 1.084e-01] + - [2.127e-02 , 1.083e-01] + - [2.275e-02 , 1.090e-01] + - [2.555e-02 , 1.110e-01] + - [2.658e-02 , 1.114e-01] + - [2.801e-02 , 1.116e-01] + - [2.949e-02 , 1.121e-01] + - [3.129e-02 , 1.131e-01] + - [3.263e-02 , 1.137e-01] + - [3.598e-02 , 1.144e-01] + - [3.828e-02 , 1.155e-01] + - [3.931e-02 , 1.158e-01] + - [4.198e-02 , 1.163e-01] + - [4.301e-02 , 1.167e-01] + - [4.586e-02 , 1.177e-01] + - [4.852e-02 , 1.183e-01] + - [5.187e-02 , 1.194e-01] + - [5.506e-02 , 1.201e-01] + - [5.858e-02 , 1.211e-01] + - [6.152e-02 , 1.217e-01] + - [6.487e-02 , 1.227e-01] + - [6.803e-02 , 1.233e-01] + - [7.140e-02 , 1.242e-01] + - [7.554e-02 , 1.251e-01] + - [7.859e-02 , 1.258e-01] + - [8.956e-02 , 1.281e-01] + - [9.990e-02 , 1.300e-01] + - [1.111e-01 , 1.319e-01] + - [1.171e-01 , 1.328e-01] + - [1.312e-01 , 1.349e-01] + - [1.511e-01 , 1.375e-01] + - [1.717e-01 , 1.400e-01] + - [1.917e-01 , 1.422e-01] + - [2.126e-01 , 1.443e-01] + - [2.389e-01 , 1.468e-01] + - [2.497e-01 , 1.477e-01] + - [2.704e-01 , 1.495e-01] + - [3.135e-01 , 1.533e-01] + - [3.433e-01 , 1.560e-01] + - [3.773e-01 , 1.590e-01] + - [4.106e-01 , 1.620e-01] + - [4.282e-01 , 1.635e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-10.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-10.yaml new file mode 100644 index 0000000..e3f8c27 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-10.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 361 K + ignition-delay: + - 6.1 ms + pressure: + - 553 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.03470 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.03470 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.46530 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.46530 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.886e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.544e-01] + - [3.496e-03 , 9.106e-01] + - [3.759e-03 , 8.944e-01] + - [3.998e-03 , 8.853e-01] + - [4.259e-03 , 8.700e-01] + - [4.496e-03 , 8.605e-01] + - [5.746e-03 , 7.813e-01] + - [5.993e-03 , 7.655e-01] + - [6.249e-03 , 7.446e-01] + - [6.745e-03 , 7.095e-01] + - [6.995e-03 , 6.910e-01] + - [7.495e-03 , 6.509e-01] + - [7.745e-03 , 6.316e-01] + - [8.242e-03 , 5.921e-01] + - [8.497e-03 , 5.717e-01] + - [8.746e-03 , 5.525e-01] + - [9.246e-03 , 5.121e-01] + - [9.494e-03 , 4.937e-01] + - [9.746e-03 , 4.739e-01] + - [1.024e-02 , 4.356e-01] + - [1.050e-02 , 4.159e-01] + - [1.074e-02 , 3.969e-01] + - [1.100e-02 , 3.769e-01] + - [1.124e-02 , 3.581e-01] + - [1.149e-02 , 3.382e-01] + - [1.174e-02 , 3.180e-01] + - [1.199e-02 , 2.979e-01] + - [1.224e-02 , 2.782e-01] + - [1.249e-02 , 2.581e-01] + - [1.274e-02 , 2.381e-01] + - [1.299e-02 , 2.181e-01] + - [1.349e-02 , 1.850e-01] + - [1.374e-02 , 1.729e-01] + - [1.399e-02 , 1.619e-01] + - [1.424e-02 , 1.511e-01] + - [1.449e-02 , 1.398e-01] + - [1.474e-02 , 1.288e-01] + - [1.499e-02 , 1.187e-01] + - [1.525e-02 , 1.123e-01] + - [1.550e-02 , 1.092e-01] + - [1.576e-02 , 1.078e-01] + - [1.601e-02 , 1.071e-01] + - [1.701e-02 , 1.051e-01] + - [1.724e-02 , 1.049e-01] + - [1.803e-02 , 1.061e-01] + - [1.880e-02 , 1.071e-01] + - [2.005e-02 , 1.080e-01] + - [2.101e-02 , 1.084e-01] + - [2.127e-02 , 1.083e-01] + - [2.275e-02 , 1.090e-01] + - [2.555e-02 , 1.110e-01] + - [2.658e-02 , 1.114e-01] + - [2.801e-02 , 1.116e-01] + - [2.949e-02 , 1.121e-01] + - [3.129e-02 , 1.131e-01] + - [3.263e-02 , 1.137e-01] + - [3.598e-02 , 1.144e-01] + - [3.828e-02 , 1.155e-01] + - [3.931e-02 , 1.158e-01] + - [4.198e-02 , 1.163e-01] + - [4.301e-02 , 1.167e-01] + - [4.586e-02 , 1.177e-01] + - [4.852e-02 , 1.183e-01] + - [5.187e-02 , 1.194e-01] + - [5.506e-02 , 1.201e-01] + - [5.858e-02 , 1.211e-01] + - [6.152e-02 , 1.217e-01] + - [6.487e-02 , 1.227e-01] + - [6.803e-02 , 1.233e-01] + - [7.140e-02 , 1.242e-01] + - [7.554e-02 , 1.251e-01] + - [7.859e-02 , 1.258e-01] + - [8.956e-02 , 1.281e-01] + - [9.990e-02 , 1.300e-01] + - [1.111e-01 , 1.319e-01] + - [1.171e-01 , 1.328e-01] + - [1.312e-01 , 1.349e-01] + - [1.511e-01 , 1.375e-01] + - [1.717e-01 , 1.400e-01] + - [1.917e-01 , 1.422e-01] + - [2.126e-01 , 1.443e-01] + - [2.389e-01 , 1.468e-01] + - [2.497e-01 , 1.477e-01] + - [2.704e-01 , 1.495e-01] + - [3.135e-01 , 1.533e-01] + - [3.433e-01 , 1.560e-01] + - [3.773e-01 , 1.590e-01] + - [4.106e-01 , 1.620e-01] + - [4.282e-01 , 1.635e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-11.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-11.yaml new file mode 100644 index 0000000..bdbeac0 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-11.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 361 K + ignition-delay: + - 6.1 ms + pressure: + - 551 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.03470 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.03470 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.46530 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.46530 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.886e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.544e-01] + - [3.496e-03 , 9.106e-01] + - [3.759e-03 , 8.944e-01] + - [3.998e-03 , 8.853e-01] + - [4.259e-03 , 8.700e-01] + - [4.496e-03 , 8.605e-01] + - [5.746e-03 , 7.813e-01] + - [5.993e-03 , 7.655e-01] + - [6.249e-03 , 7.446e-01] + - [6.745e-03 , 7.095e-01] + - [6.995e-03 , 6.910e-01] + - [7.495e-03 , 6.509e-01] + - [7.745e-03 , 6.316e-01] + - [8.242e-03 , 5.921e-01] + - [8.497e-03 , 5.717e-01] + - [8.746e-03 , 5.525e-01] + - [9.246e-03 , 5.121e-01] + - [9.494e-03 , 4.937e-01] + - [9.746e-03 , 4.739e-01] + - [1.024e-02 , 4.356e-01] + - [1.050e-02 , 4.159e-01] + - [1.074e-02 , 3.969e-01] + - [1.100e-02 , 3.769e-01] + - [1.124e-02 , 3.581e-01] + - [1.149e-02 , 3.382e-01] + - [1.174e-02 , 3.180e-01] + - [1.199e-02 , 2.979e-01] + - [1.224e-02 , 2.782e-01] + - [1.249e-02 , 2.581e-01] + - [1.274e-02 , 2.381e-01] + - [1.299e-02 , 2.181e-01] + - [1.349e-02 , 1.850e-01] + - [1.374e-02 , 1.729e-01] + - [1.399e-02 , 1.619e-01] + - [1.424e-02 , 1.511e-01] + - [1.449e-02 , 1.398e-01] + - [1.474e-02 , 1.288e-01] + - [1.499e-02 , 1.187e-01] + - [1.525e-02 , 1.123e-01] + - [1.550e-02 , 1.092e-01] + - [1.576e-02 , 1.078e-01] + - [1.601e-02 , 1.071e-01] + - [1.701e-02 , 1.051e-01] + - [1.724e-02 , 1.049e-01] + - [1.803e-02 , 1.061e-01] + - [1.880e-02 , 1.071e-01] + - [2.005e-02 , 1.080e-01] + - [2.101e-02 , 1.084e-01] + - [2.127e-02 , 1.083e-01] + - [2.275e-02 , 1.090e-01] + - [2.555e-02 , 1.110e-01] + - [2.658e-02 , 1.114e-01] + - [2.801e-02 , 1.116e-01] + - [2.949e-02 , 1.121e-01] + - [3.129e-02 , 1.131e-01] + - [3.263e-02 , 1.137e-01] + - [3.598e-02 , 1.144e-01] + - [3.828e-02 , 1.155e-01] + - [3.931e-02 , 1.158e-01] + - [4.198e-02 , 1.163e-01] + - [4.301e-02 , 1.167e-01] + - [4.586e-02 , 1.177e-01] + - [4.852e-02 , 1.183e-01] + - [5.187e-02 , 1.194e-01] + - [5.506e-02 , 1.201e-01] + - [5.858e-02 , 1.211e-01] + - [6.152e-02 , 1.217e-01] + - [6.487e-02 , 1.227e-01] + - [6.803e-02 , 1.233e-01] + - [7.140e-02 , 1.242e-01] + - [7.554e-02 , 1.251e-01] + - [7.859e-02 , 1.258e-01] + - [8.956e-02 , 1.281e-01] + - [9.990e-02 , 1.300e-01] + - [1.111e-01 , 1.319e-01] + - [1.171e-01 , 1.328e-01] + - [1.312e-01 , 1.349e-01] + - [1.511e-01 , 1.375e-01] + - [1.717e-01 , 1.400e-01] + - [1.917e-01 , 1.422e-01] + - [2.126e-01 , 1.443e-01] + - [2.389e-01 , 1.468e-01] + - [2.497e-01 , 1.477e-01] + - [2.704e-01 , 1.495e-01] + - [3.135e-01 , 1.533e-01] + - [3.433e-01 , 1.560e-01] + - [3.773e-01 , 1.590e-01] + - [4.106e-01 , 1.620e-01] + - [4.282e-01 , 1.635e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-12.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-12.yaml new file mode 100644 index 0000000..981337a --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-12.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 364 K + ignition-delay: + - 3.9 ms + pressure: + - 554 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.03470 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.03470 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.46530 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.46530 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.886e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.544e-01] + - [3.496e-03 , 9.106e-01] + - [3.759e-03 , 8.944e-01] + - [3.998e-03 , 8.853e-01] + - [4.259e-03 , 8.700e-01] + - [4.496e-03 , 8.605e-01] + - [5.746e-03 , 7.813e-01] + - [5.993e-03 , 7.655e-01] + - [6.249e-03 , 7.446e-01] + - [6.745e-03 , 7.095e-01] + - [6.995e-03 , 6.910e-01] + - [7.495e-03 , 6.509e-01] + - [7.745e-03 , 6.316e-01] + - [8.242e-03 , 5.921e-01] + - [8.497e-03 , 5.717e-01] + - [8.746e-03 , 5.525e-01] + - [9.246e-03 , 5.121e-01] + - [9.494e-03 , 4.937e-01] + - [9.746e-03 , 4.739e-01] + - [1.024e-02 , 4.356e-01] + - [1.050e-02 , 4.159e-01] + - [1.074e-02 , 3.969e-01] + - [1.100e-02 , 3.769e-01] + - [1.124e-02 , 3.581e-01] + - [1.149e-02 , 3.382e-01] + - [1.174e-02 , 3.180e-01] + - [1.199e-02 , 2.979e-01] + - [1.224e-02 , 2.782e-01] + - [1.249e-02 , 2.581e-01] + - [1.274e-02 , 2.381e-01] + - [1.299e-02 , 2.181e-01] + - [1.349e-02 , 1.850e-01] + - [1.374e-02 , 1.729e-01] + - [1.399e-02 , 1.619e-01] + - [1.424e-02 , 1.511e-01] + - [1.449e-02 , 1.398e-01] + - [1.474e-02 , 1.288e-01] + - [1.499e-02 , 1.187e-01] + - [1.525e-02 , 1.123e-01] + - [1.550e-02 , 1.092e-01] + - [1.576e-02 , 1.078e-01] + - [1.601e-02 , 1.071e-01] + - [1.701e-02 , 1.051e-01] + - [1.724e-02 , 1.049e-01] + - [1.803e-02 , 1.061e-01] + - [1.880e-02 , 1.071e-01] + - [2.005e-02 , 1.080e-01] + - [2.101e-02 , 1.084e-01] + - [2.127e-02 , 1.083e-01] + - [2.275e-02 , 1.090e-01] + - [2.555e-02 , 1.110e-01] + - [2.658e-02 , 1.114e-01] + - [2.801e-02 , 1.116e-01] + - [2.949e-02 , 1.121e-01] + - [3.129e-02 , 1.131e-01] + - [3.263e-02 , 1.137e-01] + - [3.598e-02 , 1.144e-01] + - [3.828e-02 , 1.155e-01] + - [3.931e-02 , 1.158e-01] + - [4.198e-02 , 1.163e-01] + - [4.301e-02 , 1.167e-01] + - [4.586e-02 , 1.177e-01] + - [4.852e-02 , 1.183e-01] + - [5.187e-02 , 1.194e-01] + - [5.506e-02 , 1.201e-01] + - [5.858e-02 , 1.211e-01] + - [6.152e-02 , 1.217e-01] + - [6.487e-02 , 1.227e-01] + - [6.803e-02 , 1.233e-01] + - [7.140e-02 , 1.242e-01] + - [7.554e-02 , 1.251e-01] + - [7.859e-02 , 1.258e-01] + - [8.956e-02 , 1.281e-01] + - [9.990e-02 , 1.300e-01] + - [1.111e-01 , 1.319e-01] + - [1.171e-01 , 1.328e-01] + - [1.312e-01 , 1.349e-01] + - [1.511e-01 , 1.375e-01] + - [1.717e-01 , 1.400e-01] + - [1.917e-01 , 1.422e-01] + - [2.126e-01 , 1.443e-01] + - [2.389e-01 , 1.468e-01] + - [2.497e-01 , 1.477e-01] + - [2.704e-01 , 1.495e-01] + - [3.135e-01 , 1.533e-01] + - [3.433e-01 , 1.560e-01] + - [3.773e-01 , 1.590e-01] + - [4.106e-01 , 1.620e-01] + - [4.282e-01 , 1.635e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-2.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-2.yaml new file mode 100644 index 0000000..8c9b6ed --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-2.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 345 K + ignition-delay: + - 40 ms + pressure: + - 547 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.03470 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.03470 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.46530 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.46530 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.886e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.544e-01] + - [3.496e-03 , 9.106e-01] + - [3.759e-03 , 8.944e-01] + - [3.998e-03 , 8.853e-01] + - [4.259e-03 , 8.700e-01] + - [4.496e-03 , 8.605e-01] + - [5.746e-03 , 7.813e-01] + - [5.993e-03 , 7.655e-01] + - [6.249e-03 , 7.446e-01] + - [6.745e-03 , 7.095e-01] + - [6.995e-03 , 6.910e-01] + - [7.495e-03 , 6.509e-01] + - [7.745e-03 , 6.316e-01] + - [8.242e-03 , 5.921e-01] + - [8.497e-03 , 5.717e-01] + - [8.746e-03 , 5.525e-01] + - [9.246e-03 , 5.121e-01] + - [9.494e-03 , 4.937e-01] + - [9.746e-03 , 4.739e-01] + - [1.024e-02 , 4.356e-01] + - [1.050e-02 , 4.159e-01] + - [1.074e-02 , 3.969e-01] + - [1.100e-02 , 3.769e-01] + - [1.124e-02 , 3.581e-01] + - [1.149e-02 , 3.382e-01] + - [1.174e-02 , 3.180e-01] + - [1.199e-02 , 2.979e-01] + - [1.224e-02 , 2.782e-01] + - [1.249e-02 , 2.581e-01] + - [1.274e-02 , 2.381e-01] + - [1.299e-02 , 2.181e-01] + - [1.349e-02 , 1.850e-01] + - [1.374e-02 , 1.729e-01] + - [1.399e-02 , 1.619e-01] + - [1.424e-02 , 1.511e-01] + - [1.449e-02 , 1.398e-01] + - [1.474e-02 , 1.288e-01] + - [1.499e-02 , 1.187e-01] + - [1.525e-02 , 1.123e-01] + - [1.550e-02 , 1.092e-01] + - [1.576e-02 , 1.078e-01] + - [1.601e-02 , 1.071e-01] + - [1.701e-02 , 1.051e-01] + - [1.724e-02 , 1.049e-01] + - [1.803e-02 , 1.061e-01] + - [1.880e-02 , 1.071e-01] + - [2.005e-02 , 1.080e-01] + - [2.101e-02 , 1.084e-01] + - [2.127e-02 , 1.083e-01] + - [2.275e-02 , 1.090e-01] + - [2.555e-02 , 1.110e-01] + - [2.658e-02 , 1.114e-01] + - [2.801e-02 , 1.116e-01] + - [2.949e-02 , 1.121e-01] + - [3.129e-02 , 1.131e-01] + - [3.263e-02 , 1.137e-01] + - [3.598e-02 , 1.144e-01] + - [3.828e-02 , 1.155e-01] + - [3.931e-02 , 1.158e-01] + - [4.198e-02 , 1.163e-01] + - [4.301e-02 , 1.167e-01] + - [4.586e-02 , 1.177e-01] + - [4.852e-02 , 1.183e-01] + - [5.187e-02 , 1.194e-01] + - [5.506e-02 , 1.201e-01] + - [5.858e-02 , 1.211e-01] + - [6.152e-02 , 1.217e-01] + - [6.487e-02 , 1.227e-01] + - [6.803e-02 , 1.233e-01] + - [7.140e-02 , 1.242e-01] + - [7.554e-02 , 1.251e-01] + - [7.859e-02 , 1.258e-01] + - [8.956e-02 , 1.281e-01] + - [9.990e-02 , 1.300e-01] + - [1.111e-01 , 1.319e-01] + - [1.171e-01 , 1.328e-01] + - [1.312e-01 , 1.349e-01] + - [1.511e-01 , 1.375e-01] + - [1.717e-01 , 1.400e-01] + - [1.917e-01 , 1.422e-01] + - [2.126e-01 , 1.443e-01] + - [2.389e-01 , 1.468e-01] + - [2.497e-01 , 1.477e-01] + - [2.704e-01 , 1.495e-01] + - [3.135e-01 , 1.533e-01] + - [3.433e-01 , 1.560e-01] + - [3.773e-01 , 1.590e-01] + - [4.106e-01 , 1.620e-01] + - [4.282e-01 , 1.635e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-3.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-3.yaml new file mode 100644 index 0000000..f5f2666 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-3.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 351 K + ignition-delay: + - 22 ms + pressure: + - 549 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.03470 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.03470 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.46530 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.46530 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.886e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.544e-01] + - [3.496e-03 , 9.106e-01] + - [3.759e-03 , 8.944e-01] + - [3.998e-03 , 8.853e-01] + - [4.259e-03 , 8.700e-01] + - [4.496e-03 , 8.605e-01] + - [5.746e-03 , 7.813e-01] + - [5.993e-03 , 7.655e-01] + - [6.249e-03 , 7.446e-01] + - [6.745e-03 , 7.095e-01] + - [6.995e-03 , 6.910e-01] + - [7.495e-03 , 6.509e-01] + - [7.745e-03 , 6.316e-01] + - [8.242e-03 , 5.921e-01] + - [8.497e-03 , 5.717e-01] + - [8.746e-03 , 5.525e-01] + - [9.246e-03 , 5.121e-01] + - [9.494e-03 , 4.937e-01] + - [9.746e-03 , 4.739e-01] + - [1.024e-02 , 4.356e-01] + - [1.050e-02 , 4.159e-01] + - [1.074e-02 , 3.969e-01] + - [1.100e-02 , 3.769e-01] + - [1.124e-02 , 3.581e-01] + - [1.149e-02 , 3.382e-01] + - [1.174e-02 , 3.180e-01] + - [1.199e-02 , 2.979e-01] + - [1.224e-02 , 2.782e-01] + - [1.249e-02 , 2.581e-01] + - [1.274e-02 , 2.381e-01] + - [1.299e-02 , 2.181e-01] + - [1.349e-02 , 1.850e-01] + - [1.374e-02 , 1.729e-01] + - [1.399e-02 , 1.619e-01] + - [1.424e-02 , 1.511e-01] + - [1.449e-02 , 1.398e-01] + - [1.474e-02 , 1.288e-01] + - [1.499e-02 , 1.187e-01] + - [1.525e-02 , 1.123e-01] + - [1.550e-02 , 1.092e-01] + - [1.576e-02 , 1.078e-01] + - [1.601e-02 , 1.071e-01] + - [1.701e-02 , 1.051e-01] + - [1.724e-02 , 1.049e-01] + - [1.803e-02 , 1.061e-01] + - [1.880e-02 , 1.071e-01] + - [2.005e-02 , 1.080e-01] + - [2.101e-02 , 1.084e-01] + - [2.127e-02 , 1.083e-01] + - [2.275e-02 , 1.090e-01] + - [2.555e-02 , 1.110e-01] + - [2.658e-02 , 1.114e-01] + - [2.801e-02 , 1.116e-01] + - [2.949e-02 , 1.121e-01] + - [3.129e-02 , 1.131e-01] + - [3.263e-02 , 1.137e-01] + - [3.598e-02 , 1.144e-01] + - [3.828e-02 , 1.155e-01] + - [3.931e-02 , 1.158e-01] + - [4.198e-02 , 1.163e-01] + - [4.301e-02 , 1.167e-01] + - [4.586e-02 , 1.177e-01] + - [4.852e-02 , 1.183e-01] + - [5.187e-02 , 1.194e-01] + - [5.506e-02 , 1.201e-01] + - [5.858e-02 , 1.211e-01] + - [6.152e-02 , 1.217e-01] + - [6.487e-02 , 1.227e-01] + - [6.803e-02 , 1.233e-01] + - [7.140e-02 , 1.242e-01] + - [7.554e-02 , 1.251e-01] + - [7.859e-02 , 1.258e-01] + - [8.956e-02 , 1.281e-01] + - [9.990e-02 , 1.300e-01] + - [1.111e-01 , 1.319e-01] + - [1.171e-01 , 1.328e-01] + - [1.312e-01 , 1.349e-01] + - [1.511e-01 , 1.375e-01] + - [1.717e-01 , 1.400e-01] + - [1.917e-01 , 1.422e-01] + - [2.126e-01 , 1.443e-01] + - [2.389e-01 , 1.468e-01] + - [2.497e-01 , 1.477e-01] + - [2.704e-01 , 1.495e-01] + - [3.135e-01 , 1.533e-01] + - [3.433e-01 , 1.560e-01] + - [3.773e-01 , 1.590e-01] + - [4.106e-01 , 1.620e-01] + - [4.282e-01 , 1.635e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-4.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-4.yaml new file mode 100644 index 0000000..6ce9763 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-4.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 351 K + ignition-delay: + - 17.7 ms + pressure: + - 553 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.03470 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.03470 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.46530 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.46530 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.886e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.544e-01] + - [3.496e-03 , 9.106e-01] + - [3.759e-03 , 8.944e-01] + - [3.998e-03 , 8.853e-01] + - [4.259e-03 , 8.700e-01] + - [4.496e-03 , 8.605e-01] + - [5.746e-03 , 7.813e-01] + - [5.993e-03 , 7.655e-01] + - [6.249e-03 , 7.446e-01] + - [6.745e-03 , 7.095e-01] + - [6.995e-03 , 6.910e-01] + - [7.495e-03 , 6.509e-01] + - [7.745e-03 , 6.316e-01] + - [8.242e-03 , 5.921e-01] + - [8.497e-03 , 5.717e-01] + - [8.746e-03 , 5.525e-01] + - [9.246e-03 , 5.121e-01] + - [9.494e-03 , 4.937e-01] + - [9.746e-03 , 4.739e-01] + - [1.024e-02 , 4.356e-01] + - [1.050e-02 , 4.159e-01] + - [1.074e-02 , 3.969e-01] + - [1.100e-02 , 3.769e-01] + - [1.124e-02 , 3.581e-01] + - [1.149e-02 , 3.382e-01] + - [1.174e-02 , 3.180e-01] + - [1.199e-02 , 2.979e-01] + - [1.224e-02 , 2.782e-01] + - [1.249e-02 , 2.581e-01] + - [1.274e-02 , 2.381e-01] + - [1.299e-02 , 2.181e-01] + - [1.349e-02 , 1.850e-01] + - [1.374e-02 , 1.729e-01] + - [1.399e-02 , 1.619e-01] + - [1.424e-02 , 1.511e-01] + - [1.449e-02 , 1.398e-01] + - [1.474e-02 , 1.288e-01] + - [1.499e-02 , 1.187e-01] + - [1.525e-02 , 1.123e-01] + - [1.550e-02 , 1.092e-01] + - [1.576e-02 , 1.078e-01] + - [1.601e-02 , 1.071e-01] + - [1.701e-02 , 1.051e-01] + - [1.724e-02 , 1.049e-01] + - [1.803e-02 , 1.061e-01] + - [1.880e-02 , 1.071e-01] + - [2.005e-02 , 1.080e-01] + - [2.101e-02 , 1.084e-01] + - [2.127e-02 , 1.083e-01] + - [2.275e-02 , 1.090e-01] + - [2.555e-02 , 1.110e-01] + - [2.658e-02 , 1.114e-01] + - [2.801e-02 , 1.116e-01] + - [2.949e-02 , 1.121e-01] + - [3.129e-02 , 1.131e-01] + - [3.263e-02 , 1.137e-01] + - [3.598e-02 , 1.144e-01] + - [3.828e-02 , 1.155e-01] + - [3.931e-02 , 1.158e-01] + - [4.198e-02 , 1.163e-01] + - [4.301e-02 , 1.167e-01] + - [4.586e-02 , 1.177e-01] + - [4.852e-02 , 1.183e-01] + - [5.187e-02 , 1.194e-01] + - [5.506e-02 , 1.201e-01] + - [5.858e-02 , 1.211e-01] + - [6.152e-02 , 1.217e-01] + - [6.487e-02 , 1.227e-01] + - [6.803e-02 , 1.233e-01] + - [7.140e-02 , 1.242e-01] + - [7.554e-02 , 1.251e-01] + - [7.859e-02 , 1.258e-01] + - [8.956e-02 , 1.281e-01] + - [9.990e-02 , 1.300e-01] + - [1.111e-01 , 1.319e-01] + - [1.171e-01 , 1.328e-01] + - [1.312e-01 , 1.349e-01] + - [1.511e-01 , 1.375e-01] + - [1.717e-01 , 1.400e-01] + - [1.917e-01 , 1.422e-01] + - [2.126e-01 , 1.443e-01] + - [2.389e-01 , 1.468e-01] + - [2.497e-01 , 1.477e-01] + - [2.704e-01 , 1.495e-01] + - [3.135e-01 , 1.533e-01] + - [3.433e-01 , 1.560e-01] + - [3.773e-01 , 1.590e-01] + - [4.106e-01 , 1.620e-01] + - [4.282e-01 , 1.635e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-5.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-5.yaml new file mode 100644 index 0000000..9c6038e --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-5.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 351 K + ignition-delay: + - 17.1 ms + pressure: + - 546 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.03470 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.03470 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.46530 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.46530 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.886e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.544e-01] + - [3.496e-03 , 9.106e-01] + - [3.759e-03 , 8.944e-01] + - [3.998e-03 , 8.853e-01] + - [4.259e-03 , 8.700e-01] + - [4.496e-03 , 8.605e-01] + - [5.746e-03 , 7.813e-01] + - [5.993e-03 , 7.655e-01] + - [6.249e-03 , 7.446e-01] + - [6.745e-03 , 7.095e-01] + - [6.995e-03 , 6.910e-01] + - [7.495e-03 , 6.509e-01] + - [7.745e-03 , 6.316e-01] + - [8.242e-03 , 5.921e-01] + - [8.497e-03 , 5.717e-01] + - [8.746e-03 , 5.525e-01] + - [9.246e-03 , 5.121e-01] + - [9.494e-03 , 4.937e-01] + - [9.746e-03 , 4.739e-01] + - [1.024e-02 , 4.356e-01] + - [1.050e-02 , 4.159e-01] + - [1.074e-02 , 3.969e-01] + - [1.100e-02 , 3.769e-01] + - [1.124e-02 , 3.581e-01] + - [1.149e-02 , 3.382e-01] + - [1.174e-02 , 3.180e-01] + - [1.199e-02 , 2.979e-01] + - [1.224e-02 , 2.782e-01] + - [1.249e-02 , 2.581e-01] + - [1.274e-02 , 2.381e-01] + - [1.299e-02 , 2.181e-01] + - [1.349e-02 , 1.850e-01] + - [1.374e-02 , 1.729e-01] + - [1.399e-02 , 1.619e-01] + - [1.424e-02 , 1.511e-01] + - [1.449e-02 , 1.398e-01] + - [1.474e-02 , 1.288e-01] + - [1.499e-02 , 1.187e-01] + - [1.525e-02 , 1.123e-01] + - [1.550e-02 , 1.092e-01] + - [1.576e-02 , 1.078e-01] + - [1.601e-02 , 1.071e-01] + - [1.701e-02 , 1.051e-01] + - [1.724e-02 , 1.049e-01] + - [1.803e-02 , 1.061e-01] + - [1.880e-02 , 1.071e-01] + - [2.005e-02 , 1.080e-01] + - [2.101e-02 , 1.084e-01] + - [2.127e-02 , 1.083e-01] + - [2.275e-02 , 1.090e-01] + - [2.555e-02 , 1.110e-01] + - [2.658e-02 , 1.114e-01] + - [2.801e-02 , 1.116e-01] + - [2.949e-02 , 1.121e-01] + - [3.129e-02 , 1.131e-01] + - [3.263e-02 , 1.137e-01] + - [3.598e-02 , 1.144e-01] + - [3.828e-02 , 1.155e-01] + - [3.931e-02 , 1.158e-01] + - [4.198e-02 , 1.163e-01] + - [4.301e-02 , 1.167e-01] + - [4.586e-02 , 1.177e-01] + - [4.852e-02 , 1.183e-01] + - [5.187e-02 , 1.194e-01] + - [5.506e-02 , 1.201e-01] + - [5.858e-02 , 1.211e-01] + - [6.152e-02 , 1.217e-01] + - [6.487e-02 , 1.227e-01] + - [6.803e-02 , 1.233e-01] + - [7.140e-02 , 1.242e-01] + - [7.554e-02 , 1.251e-01] + - [7.859e-02 , 1.258e-01] + - [8.956e-02 , 1.281e-01] + - [9.990e-02 , 1.300e-01] + - [1.111e-01 , 1.319e-01] + - [1.171e-01 , 1.328e-01] + - [1.312e-01 , 1.349e-01] + - [1.511e-01 , 1.375e-01] + - [1.717e-01 , 1.400e-01] + - [1.917e-01 , 1.422e-01] + - [2.126e-01 , 1.443e-01] + - [2.389e-01 , 1.468e-01] + - [2.497e-01 , 1.477e-01] + - [2.704e-01 , 1.495e-01] + - [3.135e-01 , 1.533e-01] + - [3.433e-01 , 1.560e-01] + - [3.773e-01 , 1.590e-01] + - [4.106e-01 , 1.620e-01] + - [4.282e-01 , 1.635e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-6.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-6.yaml new file mode 100644 index 0000000..e2c070a --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-6.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 356 K + ignition-delay: + - 9.7 ms + pressure: + - 547 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.03470 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.03470 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.46530 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.46530 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.886e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.544e-01] + - [3.496e-03 , 9.106e-01] + - [3.759e-03 , 8.944e-01] + - [3.998e-03 , 8.853e-01] + - [4.259e-03 , 8.700e-01] + - [4.496e-03 , 8.605e-01] + - [5.746e-03 , 7.813e-01] + - [5.993e-03 , 7.655e-01] + - [6.249e-03 , 7.446e-01] + - [6.745e-03 , 7.095e-01] + - [6.995e-03 , 6.910e-01] + - [7.495e-03 , 6.509e-01] + - [7.745e-03 , 6.316e-01] + - [8.242e-03 , 5.921e-01] + - [8.497e-03 , 5.717e-01] + - [8.746e-03 , 5.525e-01] + - [9.246e-03 , 5.121e-01] + - [9.494e-03 , 4.937e-01] + - [9.746e-03 , 4.739e-01] + - [1.024e-02 , 4.356e-01] + - [1.050e-02 , 4.159e-01] + - [1.074e-02 , 3.969e-01] + - [1.100e-02 , 3.769e-01] + - [1.124e-02 , 3.581e-01] + - [1.149e-02 , 3.382e-01] + - [1.174e-02 , 3.180e-01] + - [1.199e-02 , 2.979e-01] + - [1.224e-02 , 2.782e-01] + - [1.249e-02 , 2.581e-01] + - [1.274e-02 , 2.381e-01] + - [1.299e-02 , 2.181e-01] + - [1.349e-02 , 1.850e-01] + - [1.374e-02 , 1.729e-01] + - [1.399e-02 , 1.619e-01] + - [1.424e-02 , 1.511e-01] + - [1.449e-02 , 1.398e-01] + - [1.474e-02 , 1.288e-01] + - [1.499e-02 , 1.187e-01] + - [1.525e-02 , 1.123e-01] + - [1.550e-02 , 1.092e-01] + - [1.576e-02 , 1.078e-01] + - [1.601e-02 , 1.071e-01] + - [1.701e-02 , 1.051e-01] + - [1.724e-02 , 1.049e-01] + - [1.803e-02 , 1.061e-01] + - [1.880e-02 , 1.071e-01] + - [2.005e-02 , 1.080e-01] + - [2.101e-02 , 1.084e-01] + - [2.127e-02 , 1.083e-01] + - [2.275e-02 , 1.090e-01] + - [2.555e-02 , 1.110e-01] + - [2.658e-02 , 1.114e-01] + - [2.801e-02 , 1.116e-01] + - [2.949e-02 , 1.121e-01] + - [3.129e-02 , 1.131e-01] + - [3.263e-02 , 1.137e-01] + - [3.598e-02 , 1.144e-01] + - [3.828e-02 , 1.155e-01] + - [3.931e-02 , 1.158e-01] + - [4.198e-02 , 1.163e-01] + - [4.301e-02 , 1.167e-01] + - [4.586e-02 , 1.177e-01] + - [4.852e-02 , 1.183e-01] + - [5.187e-02 , 1.194e-01] + - [5.506e-02 , 1.201e-01] + - [5.858e-02 , 1.211e-01] + - [6.152e-02 , 1.217e-01] + - [6.487e-02 , 1.227e-01] + - [6.803e-02 , 1.233e-01] + - [7.140e-02 , 1.242e-01] + - [7.554e-02 , 1.251e-01] + - [7.859e-02 , 1.258e-01] + - [8.956e-02 , 1.281e-01] + - [9.990e-02 , 1.300e-01] + - [1.111e-01 , 1.319e-01] + - [1.171e-01 , 1.328e-01] + - [1.312e-01 , 1.349e-01] + - [1.511e-01 , 1.375e-01] + - [1.717e-01 , 1.400e-01] + - [1.917e-01 , 1.422e-01] + - [2.126e-01 , 1.443e-01] + - [2.389e-01 , 1.468e-01] + - [2.497e-01 , 1.477e-01] + - [2.704e-01 , 1.495e-01] + - [3.135e-01 , 1.533e-01] + - [3.433e-01 , 1.560e-01] + - [3.773e-01 , 1.590e-01] + - [4.106e-01 , 1.620e-01] + - [4.282e-01 , 1.635e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-7.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-7.yaml new file mode 100644 index 0000000..56c22ca --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-7.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 356 K + ignition-delay: + - 10.3 ms + pressure: + - 551 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.03470 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.03470 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.46530 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.46530 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.886e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.544e-01] + - [3.496e-03 , 9.106e-01] + - [3.759e-03 , 8.944e-01] + - [3.998e-03 , 8.853e-01] + - [4.259e-03 , 8.700e-01] + - [4.496e-03 , 8.605e-01] + - [5.746e-03 , 7.813e-01] + - [5.993e-03 , 7.655e-01] + - [6.249e-03 , 7.446e-01] + - [6.745e-03 , 7.095e-01] + - [6.995e-03 , 6.910e-01] + - [7.495e-03 , 6.509e-01] + - [7.745e-03 , 6.316e-01] + - [8.242e-03 , 5.921e-01] + - [8.497e-03 , 5.717e-01] + - [8.746e-03 , 5.525e-01] + - [9.246e-03 , 5.121e-01] + - [9.494e-03 , 4.937e-01] + - [9.746e-03 , 4.739e-01] + - [1.024e-02 , 4.356e-01] + - [1.050e-02 , 4.159e-01] + - [1.074e-02 , 3.969e-01] + - [1.100e-02 , 3.769e-01] + - [1.124e-02 , 3.581e-01] + - [1.149e-02 , 3.382e-01] + - [1.174e-02 , 3.180e-01] + - [1.199e-02 , 2.979e-01] + - [1.224e-02 , 2.782e-01] + - [1.249e-02 , 2.581e-01] + - [1.274e-02 , 2.381e-01] + - [1.299e-02 , 2.181e-01] + - [1.349e-02 , 1.850e-01] + - [1.374e-02 , 1.729e-01] + - [1.399e-02 , 1.619e-01] + - [1.424e-02 , 1.511e-01] + - [1.449e-02 , 1.398e-01] + - [1.474e-02 , 1.288e-01] + - [1.499e-02 , 1.187e-01] + - [1.525e-02 , 1.123e-01] + - [1.550e-02 , 1.092e-01] + - [1.576e-02 , 1.078e-01] + - [1.601e-02 , 1.071e-01] + - [1.701e-02 , 1.051e-01] + - [1.724e-02 , 1.049e-01] + - [1.803e-02 , 1.061e-01] + - [1.880e-02 , 1.071e-01] + - [2.005e-02 , 1.080e-01] + - [2.101e-02 , 1.084e-01] + - [2.127e-02 , 1.083e-01] + - [2.275e-02 , 1.090e-01] + - [2.555e-02 , 1.110e-01] + - [2.658e-02 , 1.114e-01] + - [2.801e-02 , 1.116e-01] + - [2.949e-02 , 1.121e-01] + - [3.129e-02 , 1.131e-01] + - [3.263e-02 , 1.137e-01] + - [3.598e-02 , 1.144e-01] + - [3.828e-02 , 1.155e-01] + - [3.931e-02 , 1.158e-01] + - [4.198e-02 , 1.163e-01] + - [4.301e-02 , 1.167e-01] + - [4.586e-02 , 1.177e-01] + - [4.852e-02 , 1.183e-01] + - [5.187e-02 , 1.194e-01] + - [5.506e-02 , 1.201e-01] + - [5.858e-02 , 1.211e-01] + - [6.152e-02 , 1.217e-01] + - [6.487e-02 , 1.227e-01] + - [6.803e-02 , 1.233e-01] + - [7.140e-02 , 1.242e-01] + - [7.554e-02 , 1.251e-01] + - [7.859e-02 , 1.258e-01] + - [8.956e-02 , 1.281e-01] + - [9.990e-02 , 1.300e-01] + - [1.111e-01 , 1.319e-01] + - [1.171e-01 , 1.328e-01] + - [1.312e-01 , 1.349e-01] + - [1.511e-01 , 1.375e-01] + - [1.717e-01 , 1.400e-01] + - [1.917e-01 , 1.422e-01] + - [2.126e-01 , 1.443e-01] + - [2.389e-01 , 1.468e-01] + - [2.497e-01 , 1.477e-01] + - [2.704e-01 , 1.495e-01] + - [3.135e-01 , 1.533e-01] + - [3.433e-01 , 1.560e-01] + - [3.773e-01 , 1.590e-01] + - [4.106e-01 , 1.620e-01] + - [4.282e-01 , 1.635e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-8.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-8.yaml new file mode 100644 index 0000000..8742ec7 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-8.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 361 K + ignition-delay: + - 5.8 ms + pressure: + - 547 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.03470 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.03470 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.46530 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.46530 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.886e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.544e-01] + - [3.496e-03 , 9.106e-01] + - [3.759e-03 , 8.944e-01] + - [3.998e-03 , 8.853e-01] + - [4.259e-03 , 8.700e-01] + - [4.496e-03 , 8.605e-01] + - [5.746e-03 , 7.813e-01] + - [5.993e-03 , 7.655e-01] + - [6.249e-03 , 7.446e-01] + - [6.745e-03 , 7.095e-01] + - [6.995e-03 , 6.910e-01] + - [7.495e-03 , 6.509e-01] + - [7.745e-03 , 6.316e-01] + - [8.242e-03 , 5.921e-01] + - [8.497e-03 , 5.717e-01] + - [8.746e-03 , 5.525e-01] + - [9.246e-03 , 5.121e-01] + - [9.494e-03 , 4.937e-01] + - [9.746e-03 , 4.739e-01] + - [1.024e-02 , 4.356e-01] + - [1.050e-02 , 4.159e-01] + - [1.074e-02 , 3.969e-01] + - [1.100e-02 , 3.769e-01] + - [1.124e-02 , 3.581e-01] + - [1.149e-02 , 3.382e-01] + - [1.174e-02 , 3.180e-01] + - [1.199e-02 , 2.979e-01] + - [1.224e-02 , 2.782e-01] + - [1.249e-02 , 2.581e-01] + - [1.274e-02 , 2.381e-01] + - [1.299e-02 , 2.181e-01] + - [1.349e-02 , 1.850e-01] + - [1.374e-02 , 1.729e-01] + - [1.399e-02 , 1.619e-01] + - [1.424e-02 , 1.511e-01] + - [1.449e-02 , 1.398e-01] + - [1.474e-02 , 1.288e-01] + - [1.499e-02 , 1.187e-01] + - [1.525e-02 , 1.123e-01] + - [1.550e-02 , 1.092e-01] + - [1.576e-02 , 1.078e-01] + - [1.601e-02 , 1.071e-01] + - [1.701e-02 , 1.051e-01] + - [1.724e-02 , 1.049e-01] + - [1.803e-02 , 1.061e-01] + - [1.880e-02 , 1.071e-01] + - [2.005e-02 , 1.080e-01] + - [2.101e-02 , 1.084e-01] + - [2.127e-02 , 1.083e-01] + - [2.275e-02 , 1.090e-01] + - [2.555e-02 , 1.110e-01] + - [2.658e-02 , 1.114e-01] + - [2.801e-02 , 1.116e-01] + - [2.949e-02 , 1.121e-01] + - [3.129e-02 , 1.131e-01] + - [3.263e-02 , 1.137e-01] + - [3.598e-02 , 1.144e-01] + - [3.828e-02 , 1.155e-01] + - [3.931e-02 , 1.158e-01] + - [4.198e-02 , 1.163e-01] + - [4.301e-02 , 1.167e-01] + - [4.586e-02 , 1.177e-01] + - [4.852e-02 , 1.183e-01] + - [5.187e-02 , 1.194e-01] + - [5.506e-02 , 1.201e-01] + - [5.858e-02 , 1.211e-01] + - [6.152e-02 , 1.217e-01] + - [6.487e-02 , 1.227e-01] + - [6.803e-02 , 1.233e-01] + - [7.140e-02 , 1.242e-01] + - [7.554e-02 , 1.251e-01] + - [7.859e-02 , 1.258e-01] + - [8.956e-02 , 1.281e-01] + - [9.990e-02 , 1.300e-01] + - [1.111e-01 , 1.319e-01] + - [1.171e-01 , 1.328e-01] + - [1.312e-01 , 1.349e-01] + - [1.511e-01 , 1.375e-01] + - [1.717e-01 , 1.400e-01] + - [1.917e-01 , 1.422e-01] + - [2.126e-01 , 1.443e-01] + - [2.389e-01 , 1.468e-01] + - [2.497e-01 , 1.477e-01] + - [2.704e-01 , 1.495e-01] + - [3.135e-01 , 1.533e-01] + - [3.433e-01 , 1.560e-01] + - [3.773e-01 , 1.590e-01] + - [4.106e-01 , 1.620e-01] + - [4.282e-01 , 1.635e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-9.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-9.yaml new file mode 100644 index 0000000..d30b5f1 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_32c-9.yaml @@ -0,0 +1,167 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 364 K + ignition-delay: + - 3.9 ms + pressure: + - 555 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 32 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.03470 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.03470 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.46530 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.46530 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.999e-01] + - [7.564e-04 , 9.886e-01] + - [1.004e-03 , 9.831e-01] + - [2.263e-03 , 9.544e-01] + - [3.496e-03 , 9.106e-01] + - [3.759e-03 , 8.944e-01] + - [3.998e-03 , 8.853e-01] + - [4.259e-03 , 8.700e-01] + - [4.496e-03 , 8.605e-01] + - [5.746e-03 , 7.813e-01] + - [5.993e-03 , 7.655e-01] + - [6.249e-03 , 7.446e-01] + - [6.745e-03 , 7.095e-01] + - [6.995e-03 , 6.910e-01] + - [7.495e-03 , 6.509e-01] + - [7.745e-03 , 6.316e-01] + - [8.242e-03 , 5.921e-01] + - [8.497e-03 , 5.717e-01] + - [8.746e-03 , 5.525e-01] + - [9.246e-03 , 5.121e-01] + - [9.494e-03 , 4.937e-01] + - [9.746e-03 , 4.739e-01] + - [1.024e-02 , 4.356e-01] + - [1.050e-02 , 4.159e-01] + - [1.074e-02 , 3.969e-01] + - [1.100e-02 , 3.769e-01] + - [1.124e-02 , 3.581e-01] + - [1.149e-02 , 3.382e-01] + - [1.174e-02 , 3.180e-01] + - [1.199e-02 , 2.979e-01] + - [1.224e-02 , 2.782e-01] + - [1.249e-02 , 2.581e-01] + - [1.274e-02 , 2.381e-01] + - [1.299e-02 , 2.181e-01] + - [1.349e-02 , 1.850e-01] + - [1.374e-02 , 1.729e-01] + - [1.399e-02 , 1.619e-01] + - [1.424e-02 , 1.511e-01] + - [1.449e-02 , 1.398e-01] + - [1.474e-02 , 1.288e-01] + - [1.499e-02 , 1.187e-01] + - [1.525e-02 , 1.123e-01] + - [1.550e-02 , 1.092e-01] + - [1.576e-02 , 1.078e-01] + - [1.601e-02 , 1.071e-01] + - [1.701e-02 , 1.051e-01] + - [1.724e-02 , 1.049e-01] + - [1.803e-02 , 1.061e-01] + - [1.880e-02 , 1.071e-01] + - [2.005e-02 , 1.080e-01] + - [2.101e-02 , 1.084e-01] + - [2.127e-02 , 1.083e-01] + - [2.275e-02 , 1.090e-01] + - [2.555e-02 , 1.110e-01] + - [2.658e-02 , 1.114e-01] + - [2.801e-02 , 1.116e-01] + - [2.949e-02 , 1.121e-01] + - [3.129e-02 , 1.131e-01] + - [3.263e-02 , 1.137e-01] + - [3.598e-02 , 1.144e-01] + - [3.828e-02 , 1.155e-01] + - [3.931e-02 , 1.158e-01] + - [4.198e-02 , 1.163e-01] + - [4.301e-02 , 1.167e-01] + - [4.586e-02 , 1.177e-01] + - [4.852e-02 , 1.183e-01] + - [5.187e-02 , 1.194e-01] + - [5.506e-02 , 1.201e-01] + - [5.858e-02 , 1.211e-01] + - [6.152e-02 , 1.217e-01] + - [6.487e-02 , 1.227e-01] + - [6.803e-02 , 1.233e-01] + - [7.140e-02 , 1.242e-01] + - [7.554e-02 , 1.251e-01] + - [7.859e-02 , 1.258e-01] + - [8.956e-02 , 1.281e-01] + - [9.990e-02 , 1.300e-01] + - [1.111e-01 , 1.319e-01] + - [1.171e-01 , 1.328e-01] + - [1.312e-01 , 1.349e-01] + - [1.511e-01 , 1.375e-01] + - [1.717e-01 , 1.400e-01] + - [1.917e-01 , 1.422e-01] + - [2.126e-01 , 1.443e-01] + - [2.389e-01 , 1.468e-01] + - [2.497e-01 , 1.477e-01] + - [2.704e-01 , 1.495e-01] + - [3.135e-01 , 1.533e-01] + - [3.433e-01 , 1.560e-01] + - [3.773e-01 , 1.590e-01] + - [4.106e-01 , 1.620e-01] + - [4.282e-01 , 1.635e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_8-1.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_8-1.yaml new file mode 100644 index 0000000..022a257 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_8-1.yaml @@ -0,0 +1,165 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland) UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 368 K + ignition-delay: + - 26 ms + pressure: + - 330 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 8 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - 0.000e+00 1.000e+00 + - 1.000e-06 9.550e-01 + - 3.262e-03 8.785e-01 + - 4.693e-03 7.838e-01 + - 4.978e-03 7.496e-01 + - 5.231e-03 7.496e-01 + - 5.481e-03 7.321e-01 + - 5.730e-03 6.855e-01 + - 6.230e-03 6.855e-01 + - 6.486e-03 6.497e-01 + - 7.484e-03 5.749e-01 + - 7.735e-03 5.570e-01 + - 8.230e-03 5.176e-01 + - 8.983e-03 4.639e-01 + - 9.234e-03 4.428e-01 + - 9.482e-03 4.309e-01 + - 9.734e-03 4.071e-01 + - 9.983e-03 3.918e-01 + - 1.023e-02 3.712e-01 + - 1.048e-02 3.502e-01 + - 1.073e-02 3.382e-01 + - 1.098e-02 3.203e-01 + - 1.123e-02 3.034e-01 + - 1.148e-02 2.818e-01 + - 1.173e-02 2.622e-01 + - 1.198e-02 2.433e-01 + - 1.223e-02 2.250e-01 + - 1.248e-02 2.057e-01 + - 1.273e-02 1.873e-01 + - 1.348e-02 1.509e-01 + - 1.373e-02 1.402e-01 + - 1.398e-02 1.298e-01 + - 1.423e-02 1.200e-01 + - 1.448e-02 1.134e-01 + - 1.473e-02 1.100e-01 + - 1.523e-02 1.076e-01 + - 1.646e-02 1.058e-01 + - 1.674e-02 1.057e-01 + - 1.699e-02 1.060e-01 + - 1.747e-02 1.070e-01 + - 1.848e-02 1.082e-01 + - 1.874e-02 1.088e-01 + - 1.899e-02 1.086e-01 + - 2.025e-02 1.094e-01 + - 2.178e-02 1.097e-01 + - 2.449e-02 1.122e-01 + - 2.573e-02 1.128e-01 + - 2.598e-02 1.132e-01 + - 2.776e-02 1.133e-01 + - 2.974e-02 1.143e-01 + - 2.999e-02 1.144e-01 + - 3.124e-02 1.156e-01 + - 3.149e-02 1.155e-01 + - 3.274e-02 1.159e-01 + - 3.299e-02 1.162e-01 + - 3.425e-02 1.162e-01 + - 3.952e-02 1.186e-01 + - 4.209e-02 1.189e-01 + - 4.482e-02 1.204e-01 + - 4.799e-02 1.211e-01 + - 5.567e-02 1.236e-01 + - 6.122e-02 1.247e-01 + - 6.173e-02 1.254e-01 + - 6.225e-02 1.252e-01 + - 7.577e-02 1.287e-01 + - 9.593e-02 1.331e-01 + - 1.152e-01 1.370e-01 + - 1.155e-01 1.372e-01 + - 1.157e-01 1.370e-01 + - 1.265e-01 1.392e-01 + - 1.555e-01 1.440e-01 + - 1.854e-01 1.484e-01 + - 2.347e-01 1.547e-01 + - 2.350e-01 1.543e-01 + - 2.357e-01 1.550e-01 + - 2.360e-01 1.546e-01 + - 2.505e-01 1.561e-01 + - 2.520e-01 1.558e-01 + - 2.535e-01 1.564e-01 + - 2.537e-01 1.564e-01 + - 2.540e-01 1.570e-01 + - 2.545e-01 1.563e-01 + - 2.560e-01 1.570e-01 + - 2.594e-01 1.570e-01 + - 2.863e-01 1.596e-01 + - 3.212e-01 1.630e-01 + - 4.129e-01 1.712e-01 + - 4.156e-01 1.712e-01 + - 4.260e-01 1.720e-01 + - 4.264e-01 1.727e-01 + - 4.267e-01 1.722e-01 diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_8-10.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_8-10.yaml new file mode 100644 index 0000000..6f92e67 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_8-10.yaml @@ -0,0 +1,165 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 365 K + ignition-delay: + - 37.2 ms + pressure: + - 320 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 8 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.550e-01] + - [3.262e-03 , 8.785e-01] + - [4.693e-03 , 7.838e-01] + - [4.978e-03 , 7.496e-01] + - [5.231e-03 , 7.496e-01] + - [5.481e-03 , 7.321e-01] + - [5.730e-03 , 6.855e-01] + - [6.230e-03 , 6.855e-01] + - [6.486e-03 , 6.497e-01] + - [7.484e-03 , 5.749e-01] + - [7.735e-03 , 5.570e-01] + - [8.230e-03 , 5.176e-01] + - [8.983e-03 , 4.639e-01] + - [9.234e-03 , 4.428e-01] + - [9.482e-03 , 4.309e-01] + - [9.734e-03 , 4.071e-01] + - [9.983e-03 , 3.918e-01] + - [1.023e-02 , 3.712e-01] + - [1.048e-02 , 3.502e-01] + - [1.073e-02 , 3.382e-01] + - [1.098e-02 , 3.203e-01] + - [1.123e-02 , 3.034e-01] + - [1.148e-02 , 2.818e-01] + - [1.173e-02 , 2.622e-01] + - [1.198e-02 , 2.433e-01] + - [1.223e-02 , 2.250e-01] + - [1.248e-02 , 2.057e-01] + - [1.273e-02 , 1.873e-01] + - [1.348e-02 , 1.509e-01] + - [1.373e-02 , 1.402e-01] + - [1.398e-02 , 1.298e-01] + - [1.423e-02 , 1.200e-01] + - [1.448e-02 , 1.134e-01] + - [1.473e-02 , 1.100e-01] + - [1.523e-02 , 1.076e-01] + - [1.646e-02 , 1.058e-01] + - [1.674e-02 , 1.057e-01] + - [1.699e-02 , 1.060e-01] + - [1.747e-02 , 1.070e-01] + - [1.848e-02 , 1.082e-01] + - [1.874e-02 , 1.088e-01] + - [1.899e-02 , 1.086e-01] + - [2.025e-02 , 1.094e-01] + - [2.178e-02 , 1.097e-01] + - [2.449e-02 , 1.122e-01] + - [2.573e-02 , 1.128e-01] + - [2.598e-02 , 1.132e-01] + - [2.776e-02 , 1.133e-01] + - [2.974e-02 , 1.143e-01] + - [2.999e-02 , 1.144e-01] + - [3.124e-02 , 1.156e-01] + - [3.149e-02 , 1.155e-01] + - [3.274e-02 , 1.159e-01] + - [3.299e-02 , 1.162e-01] + - [3.425e-02 , 1.162e-01] + - [3.952e-02 , 1.186e-01] + - [4.209e-02 , 1.189e-01] + - [4.482e-02 , 1.204e-01] + - [4.799e-02 , 1.211e-01] + - [5.567e-02 , 1.236e-01] + - [6.122e-02 , 1.247e-01] + - [6.173e-02 , 1.254e-01] + - [6.225e-02 , 1.252e-01] + - [7.577e-02 , 1.287e-01] + - [9.593e-02 , 1.331e-01] + - [1.152e-01 , 1.370e-01] + - [1.155e-01 , 1.372e-01] + - [1.157e-01 , 1.370e-01] + - [1.265e-01 , 1.392e-01] + - [1.555e-01 , 1.440e-01] + - [1.854e-01 , 1.484e-01] + - [2.347e-01 , 1.547e-01] + - [2.350e-01 , 1.543e-01] + - [2.357e-01 , 1.550e-01] + - [2.360e-01 , 1.546e-01] + - [2.505e-01 , 1.561e-01] + - [2.520e-01 , 1.558e-01] + - [2.535e-01 , 1.564e-01] + - [2.537e-01 , 1.564e-01] + - [2.540e-01 , 1.570e-01] + - [2.545e-01 , 1.563e-01] + - [2.560e-01 , 1.570e-01] + - [2.594e-01 , 1.570e-01] + - [2.863e-01 , 1.596e-01] + - [3.212e-01 , 1.630e-01] + - [4.129e-01 , 1.712e-01] + - [4.156e-01 , 1.712e-01] + - [4.260e-01 , 1.720e-01] + - [4.264e-01 , 1.727e-01] + - [4.267e-01 , 1.722e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_8-2.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_8-2.yaml new file mode 100644 index 0000000..eb40aaf --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_8-2.yaml @@ -0,0 +1,165 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 368 K + ignition-delay: + - 30.8 ms + pressure: + - 332 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 8 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.550e-01] + - [3.262e-03 , 8.785e-01] + - [4.693e-03 , 7.838e-01] + - [4.978e-03 , 7.496e-01] + - [5.231e-03 , 7.496e-01] + - [5.481e-03 , 7.321e-01] + - [5.730e-03 , 6.855e-01] + - [6.230e-03 , 6.855e-01] + - [6.486e-03 , 6.497e-01] + - [7.484e-03 , 5.749e-01] + - [7.735e-03 , 5.570e-01] + - [8.230e-03 , 5.176e-01] + - [8.983e-03 , 4.639e-01] + - [9.234e-03 , 4.428e-01] + - [9.482e-03 , 4.309e-01] + - [9.734e-03 , 4.071e-01] + - [9.983e-03 , 3.918e-01] + - [1.023e-02 , 3.712e-01] + - [1.048e-02 , 3.502e-01] + - [1.073e-02 , 3.382e-01] + - [1.098e-02 , 3.203e-01] + - [1.123e-02 , 3.034e-01] + - [1.148e-02 , 2.818e-01] + - [1.173e-02 , 2.622e-01] + - [1.198e-02 , 2.433e-01] + - [1.223e-02 , 2.250e-01] + - [1.248e-02 , 2.057e-01] + - [1.273e-02 , 1.873e-01] + - [1.348e-02 , 1.509e-01] + - [1.373e-02 , 1.402e-01] + - [1.398e-02 , 1.298e-01] + - [1.423e-02 , 1.200e-01] + - [1.448e-02 , 1.134e-01] + - [1.473e-02 , 1.100e-01] + - [1.523e-02 , 1.076e-01] + - [1.646e-02 , 1.058e-01] + - [1.674e-02 , 1.057e-01] + - [1.699e-02 , 1.060e-01] + - [1.747e-02 , 1.070e-01] + - [1.848e-02 , 1.082e-01] + - [1.874e-02 , 1.088e-01] + - [1.899e-02 , 1.086e-01] + - [2.025e-02 , 1.094e-01] + - [2.178e-02 , 1.097e-01] + - [2.449e-02 , 1.122e-01] + - [2.573e-02 , 1.128e-01] + - [2.598e-02 , 1.132e-01] + - [2.776e-02 , 1.133e-01] + - [2.974e-02 , 1.143e-01] + - [2.999e-02 , 1.144e-01] + - [3.124e-02 , 1.156e-01] + - [3.149e-02 , 1.155e-01] + - [3.274e-02 , 1.159e-01] + - [3.299e-02 , 1.162e-01] + - [3.425e-02 , 1.162e-01] + - [3.952e-02 , 1.186e-01] + - [4.209e-02 , 1.189e-01] + - [4.482e-02 , 1.204e-01] + - [4.799e-02 , 1.211e-01] + - [5.567e-02 , 1.236e-01] + - [6.122e-02 , 1.247e-01] + - [6.173e-02 , 1.254e-01] + - [6.225e-02 , 1.252e-01] + - [7.577e-02 , 1.287e-01] + - [9.593e-02 , 1.331e-01] + - [1.152e-01 , 1.370e-01] + - [1.155e-01 , 1.372e-01] + - [1.157e-01 , 1.370e-01] + - [1.265e-01 , 1.392e-01] + - [1.555e-01 , 1.440e-01] + - [1.854e-01 , 1.484e-01] + - [2.347e-01 , 1.547e-01] + - [2.350e-01 , 1.543e-01] + - [2.357e-01 , 1.550e-01] + - [2.360e-01 , 1.546e-01] + - [2.505e-01 , 1.561e-01] + - [2.520e-01 , 1.558e-01] + - [2.535e-01 , 1.564e-01] + - [2.537e-01 , 1.564e-01] + - [2.540e-01 , 1.570e-01] + - [2.545e-01 , 1.563e-01] + - [2.560e-01 , 1.570e-01] + - [2.594e-01 , 1.570e-01] + - [2.863e-01 , 1.596e-01] + - [3.212e-01 , 1.630e-01] + - [4.129e-01 , 1.712e-01] + - [4.156e-01 , 1.712e-01] + - [4.260e-01 , 1.720e-01] + - [4.264e-01 , 1.727e-01] + - [4.267e-01 , 1.722e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_8-3.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_8-3.yaml new file mode 100644 index 0000000..d2090ec --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_8-3.yaml @@ -0,0 +1,165 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 373 K + ignition-delay: + - 15.2 ms + pressure: + - 331 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 8 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.550e-01] + - [3.262e-03 , 8.785e-01] + - [4.693e-03 , 7.838e-01] + - [4.978e-03 , 7.496e-01] + - [5.231e-03 , 7.496e-01] + - [5.481e-03 , 7.321e-01] + - [5.730e-03 , 6.855e-01] + - [6.230e-03 , 6.855e-01] + - [6.486e-03 , 6.497e-01] + - [7.484e-03 , 5.749e-01] + - [7.735e-03 , 5.570e-01] + - [8.230e-03 , 5.176e-01] + - [8.983e-03 , 4.639e-01] + - [9.234e-03 , 4.428e-01] + - [9.482e-03 , 4.309e-01] + - [9.734e-03 , 4.071e-01] + - [9.983e-03 , 3.918e-01] + - [1.023e-02 , 3.712e-01] + - [1.048e-02 , 3.502e-01] + - [1.073e-02 , 3.382e-01] + - [1.098e-02 , 3.203e-01] + - [1.123e-02 , 3.034e-01] + - [1.148e-02 , 2.818e-01] + - [1.173e-02 , 2.622e-01] + - [1.198e-02 , 2.433e-01] + - [1.223e-02 , 2.250e-01] + - [1.248e-02 , 2.057e-01] + - [1.273e-02 , 1.873e-01] + - [1.348e-02 , 1.509e-01] + - [1.373e-02 , 1.402e-01] + - [1.398e-02 , 1.298e-01] + - [1.423e-02 , 1.200e-01] + - [1.448e-02 , 1.134e-01] + - [1.473e-02 , 1.100e-01] + - [1.523e-02 , 1.076e-01] + - [1.646e-02 , 1.058e-01] + - [1.674e-02 , 1.057e-01] + - [1.699e-02 , 1.060e-01] + - [1.747e-02 , 1.070e-01] + - [1.848e-02 , 1.082e-01] + - [1.874e-02 , 1.088e-01] + - [1.899e-02 , 1.086e-01] + - [2.025e-02 , 1.094e-01] + - [2.178e-02 , 1.097e-01] + - [2.449e-02 , 1.122e-01] + - [2.573e-02 , 1.128e-01] + - [2.598e-02 , 1.132e-01] + - [2.776e-02 , 1.133e-01] + - [2.974e-02 , 1.143e-01] + - [2.999e-02 , 1.144e-01] + - [3.124e-02 , 1.156e-01] + - [3.149e-02 , 1.155e-01] + - [3.274e-02 , 1.159e-01] + - [3.299e-02 , 1.162e-01] + - [3.425e-02 , 1.162e-01] + - [3.952e-02 , 1.186e-01] + - [4.209e-02 , 1.189e-01] + - [4.482e-02 , 1.204e-01] + - [4.799e-02 , 1.211e-01] + - [5.567e-02 , 1.236e-01] + - [6.122e-02 , 1.247e-01] + - [6.173e-02 , 1.254e-01] + - [6.225e-02 , 1.252e-01] + - [7.577e-02 , 1.287e-01] + - [9.593e-02 , 1.331e-01] + - [1.152e-01 , 1.370e-01] + - [1.155e-01 , 1.372e-01] + - [1.157e-01 , 1.370e-01] + - [1.265e-01 , 1.392e-01] + - [1.555e-01 , 1.440e-01] + - [1.854e-01 , 1.484e-01] + - [2.347e-01 , 1.547e-01] + - [2.350e-01 , 1.543e-01] + - [2.357e-01 , 1.550e-01] + - [2.360e-01 , 1.546e-01] + - [2.505e-01 , 1.561e-01] + - [2.520e-01 , 1.558e-01] + - [2.535e-01 , 1.564e-01] + - [2.537e-01 , 1.564e-01] + - [2.540e-01 , 1.570e-01] + - [2.545e-01 , 1.563e-01] + - [2.560e-01 , 1.570e-01] + - [2.594e-01 , 1.570e-01] + - [2.863e-01 , 1.596e-01] + - [3.212e-01 , 1.630e-01] + - [4.129e-01 , 1.712e-01] + - [4.156e-01 , 1.712e-01] + - [4.260e-01 , 1.720e-01] + - [4.264e-01 , 1.727e-01] + - [4.267e-01 , 1.722e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_8-4.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_8-4.yaml new file mode 100644 index 0000000..10e8431 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_8-4.yaml @@ -0,0 +1,165 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 373 K + ignition-delay: + - 13.4 ms + pressure: + - 331 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 8 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.550e-01] + - [3.262e-03 , 8.785e-01] + - [4.693e-03 , 7.838e-01] + - [4.978e-03 , 7.496e-01] + - [5.231e-03 , 7.496e-01] + - [5.481e-03 , 7.321e-01] + - [5.730e-03 , 6.855e-01] + - [6.230e-03 , 6.855e-01] + - [6.486e-03 , 6.497e-01] + - [7.484e-03 , 5.749e-01] + - [7.735e-03 , 5.570e-01] + - [8.230e-03 , 5.176e-01] + - [8.983e-03 , 4.639e-01] + - [9.234e-03 , 4.428e-01] + - [9.482e-03 , 4.309e-01] + - [9.734e-03 , 4.071e-01] + - [9.983e-03 , 3.918e-01] + - [1.023e-02 , 3.712e-01] + - [1.048e-02 , 3.502e-01] + - [1.073e-02 , 3.382e-01] + - [1.098e-02 , 3.203e-01] + - [1.123e-02 , 3.034e-01] + - [1.148e-02 , 2.818e-01] + - [1.173e-02 , 2.622e-01] + - [1.198e-02 , 2.433e-01] + - [1.223e-02 , 2.250e-01] + - [1.248e-02 , 2.057e-01] + - [1.273e-02 , 1.873e-01] + - [1.348e-02 , 1.509e-01] + - [1.373e-02 , 1.402e-01] + - [1.398e-02 , 1.298e-01] + - [1.423e-02 , 1.200e-01] + - [1.448e-02 , 1.134e-01] + - [1.473e-02 , 1.100e-01] + - [1.523e-02 , 1.076e-01] + - [1.646e-02 , 1.058e-01] + - [1.674e-02 , 1.057e-01] + - [1.699e-02 , 1.060e-01] + - [1.747e-02 , 1.070e-01] + - [1.848e-02 , 1.082e-01] + - [1.874e-02 , 1.088e-01] + - [1.899e-02 , 1.086e-01] + - [2.025e-02 , 1.094e-01] + - [2.178e-02 , 1.097e-01] + - [2.449e-02 , 1.122e-01] + - [2.573e-02 , 1.128e-01] + - [2.598e-02 , 1.132e-01] + - [2.776e-02 , 1.133e-01] + - [2.974e-02 , 1.143e-01] + - [2.999e-02 , 1.144e-01] + - [3.124e-02 , 1.156e-01] + - [3.149e-02 , 1.155e-01] + - [3.274e-02 , 1.159e-01] + - [3.299e-02 , 1.162e-01] + - [3.425e-02 , 1.162e-01] + - [3.952e-02 , 1.186e-01] + - [4.209e-02 , 1.189e-01] + - [4.482e-02 , 1.204e-01] + - [4.799e-02 , 1.211e-01] + - [5.567e-02 , 1.236e-01] + - [6.122e-02 , 1.247e-01] + - [6.173e-02 , 1.254e-01] + - [6.225e-02 , 1.252e-01] + - [7.577e-02 , 1.287e-01] + - [9.593e-02 , 1.331e-01] + - [1.152e-01 , 1.370e-01] + - [1.155e-01 , 1.372e-01] + - [1.157e-01 , 1.370e-01] + - [1.265e-01 , 1.392e-01] + - [1.555e-01 , 1.440e-01] + - [1.854e-01 , 1.484e-01] + - [2.347e-01 , 1.547e-01] + - [2.350e-01 , 1.543e-01] + - [2.357e-01 , 1.550e-01] + - [2.360e-01 , 1.546e-01] + - [2.505e-01 , 1.561e-01] + - [2.520e-01 , 1.558e-01] + - [2.535e-01 , 1.564e-01] + - [2.537e-01 , 1.564e-01] + - [2.540e-01 , 1.570e-01] + - [2.545e-01 , 1.563e-01] + - [2.560e-01 , 1.570e-01] + - [2.594e-01 , 1.570e-01] + - [2.863e-01 , 1.596e-01] + - [3.212e-01 , 1.630e-01] + - [4.129e-01 , 1.712e-01] + - [4.156e-01 , 1.712e-01] + - [4.260e-01 , 1.720e-01] + - [4.264e-01 , 1.727e-01] + - [4.267e-01 , 1.722e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_8-5.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_8-5.yaml new file mode 100644 index 0000000..41684b4 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_8-5.yaml @@ -0,0 +1,165 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 378 K + ignition-delay: + - 8.4 ms + pressure: + - 331 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 8 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.550e-01] + - [3.262e-03 , 8.785e-01] + - [4.693e-03 , 7.838e-01] + - [4.978e-03 , 7.496e-01] + - [5.231e-03 , 7.496e-01] + - [5.481e-03 , 7.321e-01] + - [5.730e-03 , 6.855e-01] + - [6.230e-03 , 6.855e-01] + - [6.486e-03 , 6.497e-01] + - [7.484e-03 , 5.749e-01] + - [7.735e-03 , 5.570e-01] + - [8.230e-03 , 5.176e-01] + - [8.983e-03 , 4.639e-01] + - [9.234e-03 , 4.428e-01] + - [9.482e-03 , 4.309e-01] + - [9.734e-03 , 4.071e-01] + - [9.983e-03 , 3.918e-01] + - [1.023e-02 , 3.712e-01] + - [1.048e-02 , 3.502e-01] + - [1.073e-02 , 3.382e-01] + - [1.098e-02 , 3.203e-01] + - [1.123e-02 , 3.034e-01] + - [1.148e-02 , 2.818e-01] + - [1.173e-02 , 2.622e-01] + - [1.198e-02 , 2.433e-01] + - [1.223e-02 , 2.250e-01] + - [1.248e-02 , 2.057e-01] + - [1.273e-02 , 1.873e-01] + - [1.348e-02 , 1.509e-01] + - [1.373e-02 , 1.402e-01] + - [1.398e-02 , 1.298e-01] + - [1.423e-02 , 1.200e-01] + - [1.448e-02 , 1.134e-01] + - [1.473e-02 , 1.100e-01] + - [1.523e-02 , 1.076e-01] + - [1.646e-02 , 1.058e-01] + - [1.674e-02 , 1.057e-01] + - [1.699e-02 , 1.060e-01] + - [1.747e-02 , 1.070e-01] + - [1.848e-02 , 1.082e-01] + - [1.874e-02 , 1.088e-01] + - [1.899e-02 , 1.086e-01] + - [2.025e-02 , 1.094e-01] + - [2.178e-02 , 1.097e-01] + - [2.449e-02 , 1.122e-01] + - [2.573e-02 , 1.128e-01] + - [2.598e-02 , 1.132e-01] + - [2.776e-02 , 1.133e-01] + - [2.974e-02 , 1.143e-01] + - [2.999e-02 , 1.144e-01] + - [3.124e-02 , 1.156e-01] + - [3.149e-02 , 1.155e-01] + - [3.274e-02 , 1.159e-01] + - [3.299e-02 , 1.162e-01] + - [3.425e-02 , 1.162e-01] + - [3.952e-02 , 1.186e-01] + - [4.209e-02 , 1.189e-01] + - [4.482e-02 , 1.204e-01] + - [4.799e-02 , 1.211e-01] + - [5.567e-02 , 1.236e-01] + - [6.122e-02 , 1.247e-01] + - [6.173e-02 , 1.254e-01] + - [6.225e-02 , 1.252e-01] + - [7.577e-02 , 1.287e-01] + - [9.593e-02 , 1.331e-01] + - [1.152e-01 , 1.370e-01] + - [1.155e-01 , 1.372e-01] + - [1.157e-01 , 1.370e-01] + - [1.265e-01 , 1.392e-01] + - [1.555e-01 , 1.440e-01] + - [1.854e-01 , 1.484e-01] + - [2.347e-01 , 1.547e-01] + - [2.350e-01 , 1.543e-01] + - [2.357e-01 , 1.550e-01] + - [2.360e-01 , 1.546e-01] + - [2.505e-01 , 1.561e-01] + - [2.520e-01 , 1.558e-01] + - [2.535e-01 , 1.564e-01] + - [2.537e-01 , 1.564e-01] + - [2.540e-01 , 1.570e-01] + - [2.545e-01 , 1.563e-01] + - [2.560e-01 , 1.570e-01] + - [2.594e-01 , 1.570e-01] + - [2.863e-01 , 1.596e-01] + - [3.212e-01 , 1.630e-01] + - [4.129e-01 , 1.712e-01] + - [4.156e-01 , 1.712e-01] + - [4.260e-01 , 1.720e-01] + - [4.264e-01 , 1.727e-01] + - [4.267e-01 , 1.722e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_8-6.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_8-6.yaml new file mode 100644 index 0000000..8dab845 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_8-6.yaml @@ -0,0 +1,165 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 378 K + ignition-delay: + - 8.6 ms + pressure: + - 330 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 8 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.550e-01] + - [3.262e-03 , 8.785e-01] + - [4.693e-03 , 7.838e-01] + - [4.978e-03 , 7.496e-01] + - [5.231e-03 , 7.496e-01] + - [5.481e-03 , 7.321e-01] + - [5.730e-03 , 6.855e-01] + - [6.230e-03 , 6.855e-01] + - [6.486e-03 , 6.497e-01] + - [7.484e-03 , 5.749e-01] + - [7.735e-03 , 5.570e-01] + - [8.230e-03 , 5.176e-01] + - [8.983e-03 , 4.639e-01] + - [9.234e-03 , 4.428e-01] + - [9.482e-03 , 4.309e-01] + - [9.734e-03 , 4.071e-01] + - [9.983e-03 , 3.918e-01] + - [1.023e-02 , 3.712e-01] + - [1.048e-02 , 3.502e-01] + - [1.073e-02 , 3.382e-01] + - [1.098e-02 , 3.203e-01] + - [1.123e-02 , 3.034e-01] + - [1.148e-02 , 2.818e-01] + - [1.173e-02 , 2.622e-01] + - [1.198e-02 , 2.433e-01] + - [1.223e-02 , 2.250e-01] + - [1.248e-02 , 2.057e-01] + - [1.273e-02 , 1.873e-01] + - [1.348e-02 , 1.509e-01] + - [1.373e-02 , 1.402e-01] + - [1.398e-02 , 1.298e-01] + - [1.423e-02 , 1.200e-01] + - [1.448e-02 , 1.134e-01] + - [1.473e-02 , 1.100e-01] + - [1.523e-02 , 1.076e-01] + - [1.646e-02 , 1.058e-01] + - [1.674e-02 , 1.057e-01] + - [1.699e-02 , 1.060e-01] + - [1.747e-02 , 1.070e-01] + - [1.848e-02 , 1.082e-01] + - [1.874e-02 , 1.088e-01] + - [1.899e-02 , 1.086e-01] + - [2.025e-02 , 1.094e-01] + - [2.178e-02 , 1.097e-01] + - [2.449e-02 , 1.122e-01] + - [2.573e-02 , 1.128e-01] + - [2.598e-02 , 1.132e-01] + - [2.776e-02 , 1.133e-01] + - [2.974e-02 , 1.143e-01] + - [2.999e-02 , 1.144e-01] + - [3.124e-02 , 1.156e-01] + - [3.149e-02 , 1.155e-01] + - [3.274e-02 , 1.159e-01] + - [3.299e-02 , 1.162e-01] + - [3.425e-02 , 1.162e-01] + - [3.952e-02 , 1.186e-01] + - [4.209e-02 , 1.189e-01] + - [4.482e-02 , 1.204e-01] + - [4.799e-02 , 1.211e-01] + - [5.567e-02 , 1.236e-01] + - [6.122e-02 , 1.247e-01] + - [6.173e-02 , 1.254e-01] + - [6.225e-02 , 1.252e-01] + - [7.577e-02 , 1.287e-01] + - [9.593e-02 , 1.331e-01] + - [1.152e-01 , 1.370e-01] + - [1.155e-01 , 1.372e-01] + - [1.157e-01 , 1.370e-01] + - [1.265e-01 , 1.392e-01] + - [1.555e-01 , 1.440e-01] + - [1.854e-01 , 1.484e-01] + - [2.347e-01 , 1.547e-01] + - [2.350e-01 , 1.543e-01] + - [2.357e-01 , 1.550e-01] + - [2.360e-01 , 1.546e-01] + - [2.505e-01 , 1.561e-01] + - [2.520e-01 , 1.558e-01] + - [2.535e-01 , 1.564e-01] + - [2.537e-01 , 1.564e-01] + - [2.540e-01 , 1.570e-01] + - [2.545e-01 , 1.563e-01] + - [2.560e-01 , 1.570e-01] + - [2.594e-01 , 1.570e-01] + - [2.863e-01 , 1.596e-01] + - [3.212e-01 , 1.630e-01] + - [4.129e-01 , 1.712e-01] + - [4.156e-01 , 1.712e-01] + - [4.260e-01 , 1.720e-01] + - [4.264e-01 , 1.727e-01] + - [4.267e-01 , 1.722e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_8-7.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_8-7.yaml new file mode 100644 index 0000000..1d44c77 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_8-7.yaml @@ -0,0 +1,165 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 383 K + ignition-delay: + - 6.9 ms + pressure: + - 330 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 8 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.550e-01] + - [3.262e-03 , 8.785e-01] + - [4.693e-03 , 7.838e-01] + - [4.978e-03 , 7.496e-01] + - [5.231e-03 , 7.496e-01] + - [5.481e-03 , 7.321e-01] + - [5.730e-03 , 6.855e-01] + - [6.230e-03 , 6.855e-01] + - [6.486e-03 , 6.497e-01] + - [7.484e-03 , 5.749e-01] + - [7.735e-03 , 5.570e-01] + - [8.230e-03 , 5.176e-01] + - [8.983e-03 , 4.639e-01] + - [9.234e-03 , 4.428e-01] + - [9.482e-03 , 4.309e-01] + - [9.734e-03 , 4.071e-01] + - [9.983e-03 , 3.918e-01] + - [1.023e-02 , 3.712e-01] + - [1.048e-02 , 3.502e-01] + - [1.073e-02 , 3.382e-01] + - [1.098e-02 , 3.203e-01] + - [1.123e-02 , 3.034e-01] + - [1.148e-02 , 2.818e-01] + - [1.173e-02 , 2.622e-01] + - [1.198e-02 , 2.433e-01] + - [1.223e-02 , 2.250e-01] + - [1.248e-02 , 2.057e-01] + - [1.273e-02 , 1.873e-01] + - [1.348e-02 , 1.509e-01] + - [1.373e-02 , 1.402e-01] + - [1.398e-02 , 1.298e-01] + - [1.423e-02 , 1.200e-01] + - [1.448e-02 , 1.134e-01] + - [1.473e-02 , 1.100e-01] + - [1.523e-02 , 1.076e-01] + - [1.646e-02 , 1.058e-01] + - [1.674e-02 , 1.057e-01] + - [1.699e-02 , 1.060e-01] + - [1.747e-02 , 1.070e-01] + - [1.848e-02 , 1.082e-01] + - [1.874e-02 , 1.088e-01] + - [1.899e-02 , 1.086e-01] + - [2.025e-02 , 1.094e-01] + - [2.178e-02 , 1.097e-01] + - [2.449e-02 , 1.122e-01] + - [2.573e-02 , 1.128e-01] + - [2.598e-02 , 1.132e-01] + - [2.776e-02 , 1.133e-01] + - [2.974e-02 , 1.143e-01] + - [2.999e-02 , 1.144e-01] + - [3.124e-02 , 1.156e-01] + - [3.149e-02 , 1.155e-01] + - [3.274e-02 , 1.159e-01] + - [3.299e-02 , 1.162e-01] + - [3.425e-02 , 1.162e-01] + - [3.952e-02 , 1.186e-01] + - [4.209e-02 , 1.189e-01] + - [4.482e-02 , 1.204e-01] + - [4.799e-02 , 1.211e-01] + - [5.567e-02 , 1.236e-01] + - [6.122e-02 , 1.247e-01] + - [6.173e-02 , 1.254e-01] + - [6.225e-02 , 1.252e-01] + - [7.577e-02 , 1.287e-01] + - [9.593e-02 , 1.331e-01] + - [1.152e-01 , 1.370e-01] + - [1.155e-01 , 1.372e-01] + - [1.157e-01 , 1.370e-01] + - [1.265e-01 , 1.392e-01] + - [1.555e-01 , 1.440e-01] + - [1.854e-01 , 1.484e-01] + - [2.347e-01 , 1.547e-01] + - [2.350e-01 , 1.543e-01] + - [2.357e-01 , 1.550e-01] + - [2.360e-01 , 1.546e-01] + - [2.505e-01 , 1.561e-01] + - [2.520e-01 , 1.558e-01] + - [2.535e-01 , 1.564e-01] + - [2.537e-01 , 1.564e-01] + - [2.540e-01 , 1.570e-01] + - [2.545e-01 , 1.563e-01] + - [2.560e-01 , 1.570e-01] + - [2.594e-01 , 1.570e-01] + - [2.863e-01 , 1.596e-01] + - [3.212e-01 , 1.630e-01] + - [4.129e-01 , 1.712e-01] + - [4.156e-01 , 1.712e-01] + - [4.260e-01 , 1.720e-01] + - [4.264e-01 , 1.727e-01] + - [4.267e-01 , 1.722e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_8-8.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_8-8.yaml new file mode 100644 index 0000000..2095fbc --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_8-8.yaml @@ -0,0 +1,165 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 383 K + ignition-delay: + - 6.3 ms + pressure: + - 330 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 8 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.550e-01] + - [3.262e-03 , 8.785e-01] + - [4.693e-03 , 7.838e-01] + - [4.978e-03 , 7.496e-01] + - [5.231e-03 , 7.496e-01] + - [5.481e-03 , 7.321e-01] + - [5.730e-03 , 6.855e-01] + - [6.230e-03 , 6.855e-01] + - [6.486e-03 , 6.497e-01] + - [7.484e-03 , 5.749e-01] + - [7.735e-03 , 5.570e-01] + - [8.230e-03 , 5.176e-01] + - [8.983e-03 , 4.639e-01] + - [9.234e-03 , 4.428e-01] + - [9.482e-03 , 4.309e-01] + - [9.734e-03 , 4.071e-01] + - [9.983e-03 , 3.918e-01] + - [1.023e-02 , 3.712e-01] + - [1.048e-02 , 3.502e-01] + - [1.073e-02 , 3.382e-01] + - [1.098e-02 , 3.203e-01] + - [1.123e-02 , 3.034e-01] + - [1.148e-02 , 2.818e-01] + - [1.173e-02 , 2.622e-01] + - [1.198e-02 , 2.433e-01] + - [1.223e-02 , 2.250e-01] + - [1.248e-02 , 2.057e-01] + - [1.273e-02 , 1.873e-01] + - [1.348e-02 , 1.509e-01] + - [1.373e-02 , 1.402e-01] + - [1.398e-02 , 1.298e-01] + - [1.423e-02 , 1.200e-01] + - [1.448e-02 , 1.134e-01] + - [1.473e-02 , 1.100e-01] + - [1.523e-02 , 1.076e-01] + - [1.646e-02 , 1.058e-01] + - [1.674e-02 , 1.057e-01] + - [1.699e-02 , 1.060e-01] + - [1.747e-02 , 1.070e-01] + - [1.848e-02 , 1.082e-01] + - [1.874e-02 , 1.088e-01] + - [1.899e-02 , 1.086e-01] + - [2.025e-02 , 1.094e-01] + - [2.178e-02 , 1.097e-01] + - [2.449e-02 , 1.122e-01] + - [2.573e-02 , 1.128e-01] + - [2.598e-02 , 1.132e-01] + - [2.776e-02 , 1.133e-01] + - [2.974e-02 , 1.143e-01] + - [2.999e-02 , 1.144e-01] + - [3.124e-02 , 1.156e-01] + - [3.149e-02 , 1.155e-01] + - [3.274e-02 , 1.159e-01] + - [3.299e-02 , 1.162e-01] + - [3.425e-02 , 1.162e-01] + - [3.952e-02 , 1.186e-01] + - [4.209e-02 , 1.189e-01] + - [4.482e-02 , 1.204e-01] + - [4.799e-02 , 1.211e-01] + - [5.567e-02 , 1.236e-01] + - [6.122e-02 , 1.247e-01] + - [6.173e-02 , 1.254e-01] + - [6.225e-02 , 1.252e-01] + - [7.577e-02 , 1.287e-01] + - [9.593e-02 , 1.331e-01] + - [1.152e-01 , 1.370e-01] + - [1.155e-01 , 1.372e-01] + - [1.157e-01 , 1.370e-01] + - [1.265e-01 , 1.392e-01] + - [1.555e-01 , 1.440e-01] + - [1.854e-01 , 1.484e-01] + - [2.347e-01 , 1.547e-01] + - [2.350e-01 , 1.543e-01] + - [2.357e-01 , 1.550e-01] + - [2.360e-01 , 1.546e-01] + - [2.505e-01 , 1.561e-01] + - [2.520e-01 , 1.558e-01] + - [2.535e-01 , 1.564e-01] + - [2.537e-01 , 1.564e-01] + - [2.540e-01 , 1.570e-01] + - [2.545e-01 , 1.563e-01] + - [2.560e-01 , 1.570e-01] + - [2.594e-01 , 1.570e-01] + - [2.863e-01 , 1.596e-01] + - [3.212e-01 , 1.630e-01] + - [4.129e-01 , 1.712e-01] + - [4.156e-01 , 1.712e-01] + - [4.260e-01 , 1.720e-01] + - [4.264e-01 , 1.727e-01] + - [4.267e-01 , 1.722e-01] diff --git a/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_8-9.yaml b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_8-9.yaml new file mode 100644 index 0000000..be90591 --- /dev/null +++ b/Hydrogen/Keromnes_2013_RCM_phi_0.5_p_8-9.yaml @@ -0,0 +1,165 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: Jurgen Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: NUI Galway (Ireland), UConn (CT) + facility: rapid compression machine +datapoints: + - temperature: + - 365 K + ignition-delay: + - 39.3 ms + pressure: + - 310 mbar + equivalence-ratio: 0.5 + rcm-data: + compressed-pressure: + - 8 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.17355 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.17355 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.32645 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.32645 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 1.000e+00] + - [1.000e-06 , 9.550e-01] + - [3.262e-03 , 8.785e-01] + - [4.693e-03 , 7.838e-01] + - [4.978e-03 , 7.496e-01] + - [5.231e-03 , 7.496e-01] + - [5.481e-03 , 7.321e-01] + - [5.730e-03 , 6.855e-01] + - [6.230e-03 , 6.855e-01] + - [6.486e-03 , 6.497e-01] + - [7.484e-03 , 5.749e-01] + - [7.735e-03 , 5.570e-01] + - [8.230e-03 , 5.176e-01] + - [8.983e-03 , 4.639e-01] + - [9.234e-03 , 4.428e-01] + - [9.482e-03 , 4.309e-01] + - [9.734e-03 , 4.071e-01] + - [9.983e-03 , 3.918e-01] + - [1.023e-02 , 3.712e-01] + - [1.048e-02 , 3.502e-01] + - [1.073e-02 , 3.382e-01] + - [1.098e-02 , 3.203e-01] + - [1.123e-02 , 3.034e-01] + - [1.148e-02 , 2.818e-01] + - [1.173e-02 , 2.622e-01] + - [1.198e-02 , 2.433e-01] + - [1.223e-02 , 2.250e-01] + - [1.248e-02 , 2.057e-01] + - [1.273e-02 , 1.873e-01] + - [1.348e-02 , 1.509e-01] + - [1.373e-02 , 1.402e-01] + - [1.398e-02 , 1.298e-01] + - [1.423e-02 , 1.200e-01] + - [1.448e-02 , 1.134e-01] + - [1.473e-02 , 1.100e-01] + - [1.523e-02 , 1.076e-01] + - [1.646e-02 , 1.058e-01] + - [1.674e-02 , 1.057e-01] + - [1.699e-02 , 1.060e-01] + - [1.747e-02 , 1.070e-01] + - [1.848e-02 , 1.082e-01] + - [1.874e-02 , 1.088e-01] + - [1.899e-02 , 1.086e-01] + - [2.025e-02 , 1.094e-01] + - [2.178e-02 , 1.097e-01] + - [2.449e-02 , 1.122e-01] + - [2.573e-02 , 1.128e-01] + - [2.598e-02 , 1.132e-01] + - [2.776e-02 , 1.133e-01] + - [2.974e-02 , 1.143e-01] + - [2.999e-02 , 1.144e-01] + - [3.124e-02 , 1.156e-01] + - [3.149e-02 , 1.155e-01] + - [3.274e-02 , 1.159e-01] + - [3.299e-02 , 1.162e-01] + - [3.425e-02 , 1.162e-01] + - [3.952e-02 , 1.186e-01] + - [4.209e-02 , 1.189e-01] + - [4.482e-02 , 1.204e-01] + - [4.799e-02 , 1.211e-01] + - [5.567e-02 , 1.236e-01] + - [6.122e-02 , 1.247e-01] + - [6.173e-02 , 1.254e-01] + - [6.225e-02 , 1.252e-01] + - [7.577e-02 , 1.287e-01] + - [9.593e-02 , 1.331e-01] + - [1.152e-01 , 1.370e-01] + - [1.155e-01 , 1.372e-01] + - [1.157e-01 , 1.370e-01] + - [1.265e-01 , 1.392e-01] + - [1.555e-01 , 1.440e-01] + - [1.854e-01 , 1.484e-01] + - [2.347e-01 , 1.547e-01] + - [2.350e-01 , 1.543e-01] + - [2.357e-01 , 1.550e-01] + - [2.360e-01 , 1.546e-01] + - [2.505e-01 , 1.561e-01] + - [2.520e-01 , 1.558e-01] + - [2.535e-01 , 1.564e-01] + - [2.537e-01 , 1.564e-01] + - [2.540e-01 , 1.570e-01] + - [2.545e-01 , 1.563e-01] + - [2.560e-01 , 1.570e-01] + - [2.594e-01 , 1.570e-01] + - [2.863e-01 , 1.596e-01] + - [3.212e-01 , 1.630e-01] + - [4.129e-01 , 1.712e-01] + - [4.156e-01 , 1.712e-01] + - [4.260e-01 , 1.720e-01] + - [4.264e-01 , 1.727e-01] + - [4.267e-01 , 1.722e-01] diff --git a/Hydrogen/Keromnes_2013_TAMU_ST_mix1_phi_0.3.yaml b/Hydrogen/Keromnes_2013_TAMU_ST_mix1_phi_0.3.yaml new file mode 100644 index 0000000..4a44f48 --- /dev/null +++ b/Hydrogen/Keromnes_2013_TAMU_ST_mix1_phi_0.3.yaml @@ -0,0 +1,447 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: J. Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Texas A&M university + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.0075 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0125 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.98 + pressure-rise: &pres-rise + - 0.02 1/ms + ignition-type: &ign + target: OH* + type: d/dt max extrapolated +datapoints: + - temperature: + - 1528.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 118.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.6 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1321.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 213.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.6 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1218.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 341.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.6 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1137.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 500.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.7 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1078.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 706.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.7 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1046.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 936.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.8 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 998.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1463.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.7 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 974.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1701.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.8 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1246.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 46.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 16.3 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1172.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 151.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 12.8 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1158.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 203.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 13.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1148.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 252.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 12.5 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1138.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 335.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 13.5 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1125.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 603.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 13.7 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1116.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 760.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 12.7 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1110.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1162.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 13.7 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1107.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1482.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 12.9 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1102.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1630.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 13.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1098.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1860.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 13.3 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1227.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 322.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 33.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1224.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 310.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 31.9 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1215.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 378.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 33.3 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1201.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 605.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 34.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1179.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 896.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 32.3 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1179.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 947.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 34.1 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1172.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1123.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 32.7 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1156.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1274.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 31.5 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + - temperature: + - 1155.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1328.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 31.4 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.3 + diff --git a/Hydrogen/Keromnes_2013_TAMU_ST_mix2_phi_0.5.yaml b/Hydrogen/Keromnes_2013_TAMU_ST_mix2_phi_0.5.yaml new file mode 100644 index 0000000..641bc7b --- /dev/null +++ b/Hydrogen/Keromnes_2013_TAMU_ST_mix2_phi_0.5.yaml @@ -0,0 +1,753 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: J. Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Texas A&M university + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.01 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.01 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.9 + pressure-rise: &pres-rise + - 0.02 1/ms + ignition-type: &ign + target: OH* + type: d/dt max extrapolated +datapoints: + - temperature: + - 1623.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 90.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.5 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1622.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 99.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.5 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1511.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 121.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.5 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1497.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 118.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.5 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1391.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 185.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.5 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1347.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 194.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.6 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1329.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 232.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.6 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1278.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 247.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.6 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1204.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 382.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.6 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1162.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 356.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.6 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1154.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 378.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.6 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1128.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 500.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.7 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1124.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 472.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.7 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1124.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 573.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.7 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1121.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 485.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.7 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1109.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 577.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.6 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1084.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 695.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.8 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1079.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 735.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.7 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1064.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 728.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.8 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1034.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 837.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.7 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1025.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1029.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.8 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 992.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1299.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.7 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 977.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1687.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.8 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 966.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1752.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.7 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1241.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 55.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 13.4 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1197.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 88.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 12.7 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1192.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 104.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 12.8 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1177.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 102.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 12.3 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1168.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 143.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 12.6 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1146.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 201.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 12.8 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1137.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 344.0 us + pressure: + - 13.3 atm + - uncertainty-type: absolute + uncertainty: 1.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1136.0 K + ignition-delay: + - 354.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 14.3 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1133.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 314.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 14.4 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1126.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 453.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 13.3 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1125.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 634.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 14.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1118.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 656.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 13.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1103.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1067.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 13.1 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1098.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1222.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 13.3 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1092.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1339.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 13.6 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1089.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1776.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 13.5 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1267.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 52.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 32.8 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1261.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 75.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 32.9 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1248.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 82.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 33.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1234.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 151.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 32.4 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1212.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 321.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 31.3 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1206.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 465.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 34.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1196.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 524.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 32.6 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1174.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 923.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 33.3 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1171.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1171.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 33.8 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1164.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1121.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 33.6 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + diff --git a/Hydrogen/Keromnes_2013_TAMU_ST_mix3_phi_1.yaml b/Hydrogen/Keromnes_2013_TAMU_ST_mix3_phi_1.yaml new file mode 100644 index 0000000..1e112d5 --- /dev/null +++ b/Hydrogen/Keromnes_2013_TAMU_ST_mix3_phi_1.yaml @@ -0,0 +1,445 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.01.001 + authors: + - name: Alan Kéromnès + - name: Wayne K. Metcalfe + - name: Karl A. Heufer + - name: Nicola Donohoe + - name: Apurba K. Das + - name: Chih-Jen Sung + - name: J. Herzler + - name: Clemens Naumann + - name: Peter Griebel + - name: Olivier Mathieu + - name: Michael C. Krejci + - name: Eric L. Petersen + - name: William J. Pitz + - name: Henry J. Curran + journal: Combustion and Flame + year: 2013 + volume: 160 + pages: 995-1011 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Texas A&M university + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.0133 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0067 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.98 + pressure-rise: &pres-rise + - 0.02 1/ms + ignition-type: &ign + target: OH* + type: d/dt max extrapolated +datapoints: + - temperature: + - 1739.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 90.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.4 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1487.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 140.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.5 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1405.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 203.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.7 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1331.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 266.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.6 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1272.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 330.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.8 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1208.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 453.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.6 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1131.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 713.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.7 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1068.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1090.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.7 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1043.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1128.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 1.8 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1037.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1160.0 us + pressure: + - 1.9 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1207.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 122.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 13.8 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1204.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 121.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 15.1 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1204.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 126.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 12.7 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1203.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 111.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 13.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1189.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 144.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 15.3 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1174.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 197.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 13.7 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1147.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 283.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 14.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1140.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 395.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 13.7 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1127.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 622.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 12.9 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1105.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1604.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 13.4 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1259.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 74.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 32.9 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1247.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 109.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 34.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1239.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 133.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 33.0 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1234.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 167.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 33.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1232.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 195.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 34.1 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1191.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 556.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 34.4 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1170.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1031.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 34.7 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1144.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1389.0 us + - uncertainty-type: relative + uncertainty: 0.10 + pressure: + - 33.8 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + diff --git a/Hydrogen/Mathieu_2013_ST_mixS4.yaml b/Hydrogen/Mathieu_2013_ST_mixS4.yaml new file mode 100644 index 0000000..0832f68 --- /dev/null +++ b/Hydrogen/Mathieu_2013_ST_mixS4.yaml @@ -0,0 +1,381 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.proci.2012.05.067 + authors: + - name: O. Mathieu + - name: A. Levacque + - name: E.L. Petersen + journal: Proceedings of the Combustion Institute + year: 2013 + volume: 34 + pages: 633-640 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Dept. of Mechanical Engineering, Texas A&M University + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.0072 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0125 + - species-name: NO2 + InChI: 1S/NO2/c2-1-3 + amount: + - 0.0001 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.9802 + ignition-type: &ign + target: OH* + type: d/dt max extrapolated +datapoints: + - temperature: + - 1744.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 66.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.4 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1575.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 108.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.4 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1366.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 175.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.6 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1284.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 245.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.8 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1170.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 463.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.7 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1136.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 585.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.7 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1065.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 884.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.7 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1009.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1444.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.8 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1001.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1648.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.9 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1231.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 64.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.7 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1216.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 71.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.9 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1207.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 72.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.9 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1197.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 86.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 15.9 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1151.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 115.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.0 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1144.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 137.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.4 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1118.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 243.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 14.1 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1096.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 448.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.2 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1096.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 511.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 14.1 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1083.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 601.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 12.1 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1080.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 803.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 14.0 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1062.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 967.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 14.3 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1239.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 72.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 33.3 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1220.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 113.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 33.1 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1217.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 125.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 33.5 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1186.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 193.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 33.7 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1175.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 243.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 34.5 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1157.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 316.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 34.4 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1146.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 379.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 35.0 atm + composition: *comp + ignition-type: *ign \ No newline at end of file diff --git a/Hydrogen/Mathieu_2013_ST_mixS5.yaml b/Hydrogen/Mathieu_2013_ST_mixS5.yaml new file mode 100644 index 0000000..5c6fe4c --- /dev/null +++ b/Hydrogen/Mathieu_2013_ST_mixS5.yaml @@ -0,0 +1,382 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.proci.2012.05.067 + authors: + - name: O. Mathieu + - name: A. Levacque + - name: E.L. Petersen + journal: Proceedings of the Combustion Institute + year: 2013 + volume: 34 + pages: 633-640 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Dept. of Mechanical Engineering, Texas A&M University + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.0133 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0067 + - species-name: NO2 + InChI: 1S/NO2/c2-1-3 + amount: + - 0.0001 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.9799 + ignition-type: &ign + target: OH* + type: d/dt max extrapolated +datapoints: + - temperature: + - 1772.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 67.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.5 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1619.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 101.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.5 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1475.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 147.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.7 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1472.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 158.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.5 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1438.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 169.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.6 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1334.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 229.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.7 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1256.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 316.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.7 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1157.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 470.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.8 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1133.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 517.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.7 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1122.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 546.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.8 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1072.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 845.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.8 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1066.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 912.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.8 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1029.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1291.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.8 atm + composition: *comp + ignition-type: *ign + - temperature: + - 955.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1725.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.8 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1215.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 73.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.5 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1183.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 120.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.5 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1159.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 138.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.2 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1154.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 136.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.7 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1120.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 239.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.5 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1088.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 490.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.4 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1075.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 601.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.6 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1042.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1101.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.1 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1220.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 77.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 32.8 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1194.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 160.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 32.5 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1176.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 255.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 34.9 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1159.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 336.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 34.7 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1143.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 381.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 33.4 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1119.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 537.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 33.8 atm + composition: *comp + ignition-type: *ign + diff --git a/Hydrogen/Mathieu_2013_ST_mixS6.yaml b/Hydrogen/Mathieu_2013_ST_mixS6.yaml new file mode 100644 index 0000000..5632687 --- /dev/null +++ b/Hydrogen/Mathieu_2013_ST_mixS6.yaml @@ -0,0 +1,478 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.proci.2012.05.067 + authors: + - name: O. Mathieu + - name: A. Levacque + - name: E.L. Petersen + journal: Proceedings of the Combustion Institute + year: 2013 + volume: 34 + pages: 633-640 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Dept. of Mechanical Engineering, Texas A&M University + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.01 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.01 + - species-name: NO2 + InChI: 1S/NO2/c2-1-3 + amount: + - 0.0001 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.9799 + ignition-type: &ign + target: OH* + type: d/dt max extrapolated +datapoints: + - temperature: + - 1640.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 74.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.5 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1506.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 123.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.5 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1500.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 115.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.5 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1353.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 189.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.6 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1270.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 249.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.7 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1220.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 285.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.7 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1159.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 415.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.6 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1101.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 516.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.8 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1094.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 610.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.8 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1032.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1010.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.8 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1002.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1297.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.8 atm + composition: *comp + ignition-type: *ign + - temperature: + - 998.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1505.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.9 atm + composition: *comp + ignition-type: *ign + - temperature: + - 948.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1853.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.9 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1200.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 80.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 11.9 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1189.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 106.5 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 11.9 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1154.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 175.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.6 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1145.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 171.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 12.8 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1135.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 202.5 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 12.0 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1117.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 364.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.2 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1087.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 547.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.4 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1083.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 621.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 12.8 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1059.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 976.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.0 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1044.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1261.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.5 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1043.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1054.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.3 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1039.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1475.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 12.8 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1231.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 80.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 32.7 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1218.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 86.5 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 32.2 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1193.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 174.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 32.5 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1175.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 216.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 33.1 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1153.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 325.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 33.4 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1150.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 336.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 34.2 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1130.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 411.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 34.8 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1110.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 571.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 33.3 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1091.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 604.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 33.8 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1086.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 787.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 35.3 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1058.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1223.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 34.6 atm + composition: *comp + ignition-type: *ign + diff --git a/Hydrogen/Mathieu_2013_ST_mixS7.yaml b/Hydrogen/Mathieu_2013_ST_mixS7.yaml new file mode 100644 index 0000000..c5d6a90 --- /dev/null +++ b/Hydrogen/Mathieu_2013_ST_mixS7.yaml @@ -0,0 +1,418 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.proci.2012.05.067 + authors: + - name: O. Mathieu + - name: A. Levacque + - name: E.L. Petersen + journal: Proceedings of the Combustion Institute + year: 2013 + volume: 34 + pages: 633-640 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Dept. of Mechanical Engineering, Texas A&M University + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.01 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.01 + - species-name: NO2 + InChI: 1S/NO2/c2-1-3 + amount: + - 0.0004 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.9796 + ignition-type: &ign + target: OH* + type: d/dt max extrapolated +datapoints: + - temperature: + - 1564.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 101.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.4 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1473.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 129.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.5 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1384.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 192.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.5 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1320.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 209.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.5 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1225.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 308.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.6 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1211.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 311.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.6 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1155.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 574.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.7 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1129.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 538.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.7 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1116.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 701.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.9 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1076.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 997.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.8 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1035.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1349.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.7 atm + composition: *comp + ignition-type: *ign + - temperature: + - 995.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1868.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.8 atm + composition: *comp + ignition-type: *ign + - temperature: + - 991.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1985.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.9 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1219.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 79.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 12.8 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1204.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 100.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 12.9 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1193.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 105.5 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.6 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1151.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 161.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.2 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1138.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 225.5 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.2 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1106.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 325.5 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.1 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1074.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 399.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.2 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1059.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 454.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.5 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1048.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 440.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.3 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1034.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 608.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 14.2 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1227.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 57.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 32.5 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1180.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 102.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 34.6 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1173.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 103.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 32.4 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1149.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 149.5 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 35.9 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1135.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 184.5 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 33.5 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1079.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 273.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 33.4 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1064.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 363.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 34.1 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1022.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 450.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 34.3 atm + composition: *comp + ignition-type: *ign + diff --git a/Hydrogen/Mathieu_2013_ST_mixS8.yaml b/Hydrogen/Mathieu_2013_ST_mixS8.yaml new file mode 100644 index 0000000..c91c29f --- /dev/null +++ b/Hydrogen/Mathieu_2013_ST_mixS8.yaml @@ -0,0 +1,394 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.proci.2012.05.067 + authors: + - name: O. Mathieu + - name: A. Levacque + - name: E.L. Petersen + journal: Proceedings of the Combustion Institute + year: 2013 + volume: 34 + pages: 633-640 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Dept. of Mechanical Engineering, Texas A&M University + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.01 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.01 + - species-name: NO2 + InChI: 1S/NO2/c2-1-3 + amount: + - 0.0016 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.9784 + ignition-type: &ign + target: OH* + type: d/dt max extrapolated +datapoints: + - temperature: + - 1717.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 66.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.4 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1700.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 54.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.5 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1656.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 70.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.6 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1562.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 131.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.4 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1522.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 131.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.5 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1483.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 168.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.5 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1394.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 275.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.5 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1322.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 405.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.6 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1206.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 739.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.6 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1203.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 886.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.7 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1123.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1330.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.7 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1099.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1949.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 1.7 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1249.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 96.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.3 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1229.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 119.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.4 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1189.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 181.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.6 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1183.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 206.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 12.6 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1136.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 274.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.3 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1111.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 375.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.4 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1105.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 397.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.9 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1070.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 600.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.5 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1058.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 826.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.8 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1038.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 1061.0 us + - uncertainty-type: relative + uncertainty: 0.1 + pressure: + - 13.8 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1267.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 47.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 31.6 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1216.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 71.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 32.0 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1180.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 112.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 33.4 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1142.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 184.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 33.4 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1086.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 331.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 33.5 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1070.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 418.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 34.3 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1051.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 638.0 us + - uncertainty-type: relative + uncertainty: 0.2 + pressure: + - 34.5 atm + composition: *comp + ignition-type: *ign + diff --git a/Hydrogen/Mittal_2006_RCM_mix#1_p_15-1.yaml b/Hydrogen/Mittal_2006_RCM_mix#1_p_15-1.yaml new file mode 100644 index 0000000..0676c36 --- /dev/null +++ b/Hydrogen/Mittal_2006_RCM_mix#1_p_15-1.yaml @@ -0,0 +1,166 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1002/kin.20180 + authors: + - name: Gaurav Mittal + - name: Chih-Jen Sung + - name: Richard A. Yetter + journal: International Journal of Chemical Kinetics + year: 2006 + volume: 38 + pages: 516-529 + detail: Fig. 8, open circle [Converted from ReSpecTh XML file x40001012_1.xml] +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: CWR RCM +datapoints: + - temperature: + - 297 K + ignition-delay: + - 0.9 ms + pressure: + - 268.5 torr + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 15 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.18125 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.63125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 5.453e+02] + - [1.000e-03 , 5.442e+02] + - [2.000e-03 , 5.410e+02] + - [3.000e-03 , 5.357e+02] + - [4.000e-03 , 5.283e+02] + - [5.000e-03 , 5.188e+02] + - [6.000e-03 , 5.071e+02] + - [7.000e-03 , 4.933e+02] + - [8.000e-03 , 4.774e+02] + - [9.000e-03 , 4.594e+02] + - [1.000e-02 , 4.392e+02] + - [1.100e-02 , 4.180e+02] + - [1.200e-02 , 3.968e+02] + - [1.300e-02 , 3.756e+02] + - [1.400e-02 , 3.544e+02] + - [1.500e-02 , 3.332e+02] + - [1.600e-02 , 3.119e+02] + - [1.700e-02 , 2.907e+02] + - [1.800e-02 , 2.695e+02] + - [1.900e-02 , 2.483e+02] + - [2.000e-02 , 2.271e+02] + - [2.100e-02 , 2.059e+02] + - [2.200e-02 , 1.847e+02] + - [2.300e-02 , 1.635e+02] + - [2.400e-02 , 1.422e+02] + - [2.500e-02 , 1.210e+02] + - [2.600e-02 , 9.982e+01] + - [2.700e-02 , 7.861e+01] + - [2.800e-02 , 6.094e+01] + - [2.900e-02 , 5.033e+01] + - [3.000e-02 , 4.679e+01] + - [3.100e-02 , 4.730e+01] + - [3.200e-02 , 4.779e+01] + - [3.300e-02 , 4.826e+01] + - [3.400e-02 , 4.871e+01] + - [3.500e-02 , 4.914e+01] + - [3.600e-02 , 4.954e+01] + - [3.700e-02 , 4.991e+01] + - [3.800e-02 , 5.027e+01] + - [3.900e-02 , 5.060e+01] + - [4.000e-02 , 5.091e+01] + - [4.100e-02 , 5.121e+01] + - [4.200e-02 , 5.148e+01] + - [4.300e-02 , 5.174e+01] + - [4.400e-02 , 5.199e+01] + - [4.500e-02 , 5.222e+01] + - [4.600e-02 , 5.245e+01] + - [4.700e-02 , 5.266e+01] + - [4.800e-02 , 5.286e+01] + - [4.900e-02 , 5.306e+01] + - [5.000e-02 , 5.324e+01] + - [5.100e-02 , 5.342e+01] + - [5.200e-02 , 5.360e+01] + - [5.300e-02 , 5.377e+01] + - [5.400e-02 , 5.393e+01] + - [5.500e-02 , 5.409e+01] + - [5.600e-02 , 5.425e+01] + - [5.700e-02 , 5.440e+01] + - [5.800e-02 , 5.455e+01] + - [5.900e-02 , 5.469e+01] + - [6.000e-02 , 5.483e+01] + - [6.100e-02 , 5.497e+01] + - [6.200e-02 , 5.510e+01] + - [6.300e-02 , 5.523e+01] + - [6.400e-02 , 5.536e+01] + - [6.500e-02 , 5.549e+01] + - [6.600e-02 , 5.561e+01] + - [6.700e-02 , 5.573e+01] + - [6.800e-02 , 5.584e+01] + - [6.900e-02 , 5.595e+01] + - [7.000e-02 , 5.606e+01] + - [7.100e-02 , 5.617e+01] + - [7.200e-02 , 5.628e+01] + - [7.300e-02 , 5.638e+01] + - [7.400e-02 , 5.649e+01] + - [7.500e-02 , 5.659e+01] + - [7.600e-02 , 5.669e+01] + - [7.700e-02 , 5.678e+01] + - [7.800e-02 , 5.688e+01] + - [7.900e-02 , 5.698e+01] + - [8.000e-02 , 5.707e+01] + - [8.100e-02 , 5.717e+01] + - [8.200e-02 , 5.726e+01] + - [8.300e-02 , 5.735e+01] + - [8.400e-02 , 5.744e+01] + - [8.500e-02 , 5.754e+01] + - [8.600e-02 , 5.763e+01] + - [8.700e-02 , 5.772e+01] + - [8.800e-02 , 5.781e+01] + - [8.900e-02 , 5.789e+01] + - [9.000e-02 , 5.798e+01] + - [9.100e-02 , 5.807e+01] + - [9.200e-02 , 5.816e+01] + - [9.300e-02 , 5.824e+01] + - [9.400e-02 , 5.832e+01] + - [9.500e-02 , 5.841e+01] + - [9.600e-02 , 5.849e+01] + - [9.700e-02 , 5.857e+01] + - [9.800e-02 , 5.865e+01] + - [9.900e-02 , 5.873e+01] + - [1.000e-01 , 5.881e+01] + diff --git a/Hydrogen/Mittal_2006_RCM_mix#1_p_15-3.yaml b/Hydrogen/Mittal_2006_RCM_mix#1_p_15-3.yaml new file mode 100644 index 0000000..644a495 --- /dev/null +++ b/Hydrogen/Mittal_2006_RCM_mix#1_p_15-3.yaml @@ -0,0 +1,152 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1002/kin.20180 + authors: + - name: Gaurav Mittal + - name: Chih-Jen Sung + - name: Richard A. Yetter + journal: International Journal of Chemical Kinetics + year: 2006 + volume: 38 + pages: 516-529 + detail: Fig. 8, open circle [Converted from ReSpecTh XML file x40001012_3.xml] +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: CWR RCM +datapoints: + - temperature: + - 297.5 K + ignition-delay: + - 3.6 ms + pressure: + - 300.7 torr + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 15 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.18125 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.63125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 5.493e+02] + - [1.000e-03 , 5.447e+02] + - [2.000e-03 , 5.310e+02] + - [3.000e-03 , 5.127e+02] + - [4.000e-03 , 4.943e+02] + - [5.000e-03 , 4.760e+02] + - [6.000e-03 , 4.577e+02] + - [7.000e-03 , 4.394e+02] + - [8.000e-03 , 4.210e+02] + - [9.000e-03 , 4.027e+02] + - [1.000e-02 , 3.844e+02] + - [1.100e-02 , 3.661e+02] + - [1.200e-02 , 3.477e+02] + - [1.300e-02 , 3.294e+02] + - [1.400e-02 , 3.111e+02] + - [1.500e-02 , 2.928e+02] + - [1.600e-02 , 2.744e+02] + - [1.700e-02 , 2.561e+02] + - [1.800e-02 , 2.378e+02] + - [1.900e-02 , 2.194e+02] + - [2.000e-02 , 2.011e+02] + - [2.100e-02 , 1.828e+02] + - [2.200e-02 , 1.645e+02] + - [2.300e-02 , 1.461e+02] + - [2.400e-02 , 1.278e+02] + - [2.500e-02 , 1.095e+02] + - [2.600e-02 , 9.116e+01] + - [2.700e-02 , 7.375e+01] + - [2.800e-02 , 6.103e+01] + - [2.900e-02 , 5.339e+01] + - [3.000e-02 , 5.084e+01] + - [3.100e-02 , 5.115e+01] + - [3.200e-02 , 5.166e+01] + - [3.300e-02 , 5.224e+01] + - [3.400e-02 , 5.281e+01] + - [3.500e-02 , 5.334e+01] + - [3.600e-02 , 5.380e+01] + - [3.700e-02 , 5.422e+01] + - [3.800e-02 , 5.459e+01] + - [3.900e-02 , 5.492e+01] + - [4.000e-02 , 5.522e+01] + - [4.100e-02 , 5.551e+01] + - [4.200e-02 , 5.579e+01] + - [4.300e-02 , 5.606e+01] + - [4.400e-02 , 5.631e+01] + - [4.500e-02 , 5.656e+01] + - [4.600e-02 , 5.680e+01] + - [4.700e-02 , 5.702e+01] + - [4.800e-02 , 5.724e+01] + - [4.900e-02 , 5.744e+01] + - [5.000e-02 , 5.763e+01] + - [5.100e-02 , 5.781e+01] + - [5.200e-02 , 5.799e+01] + - [5.300e-02 , 5.816e+01] + - [5.400e-02 , 5.833e+01] + - [5.500e-02 , 5.849e+01] + - [5.600e-02 , 5.866e+01] + - [5.700e-02 , 5.883e+01] + - [5.800e-02 , 5.899e+01] + - [5.900e-02 , 5.916e+01] + - [6.000e-02 , 5.932e+01] + - [6.100e-02 , 5.948e+01] + - [6.200e-02 , 5.963e+01] + - [6.300e-02 , 5.978e+01] + - [6.400e-02 , 5.991e+01] + - [6.500e-02 , 6.004e+01] + - [6.600e-02 , 6.017e+01] + - [6.700e-02 , 6.029e+01] + - [6.800e-02 , 6.041e+01] + - [6.900e-02 , 6.053e+01] + - [7.000e-02 , 6.065e+01] + - [7.100e-02 , 6.078e+01] + - [7.200e-02 , 6.092e+01] + - [7.300e-02 , 6.105e+01] + - [7.400e-02 , 6.119e+01] + - [7.500e-02 , 6.131e+01] + - [7.600e-02 , 6.143e+01] + - [7.700e-02 , 6.152e+01] + - [7.800e-02 , 6.161e+01] + - [7.900e-02 , 6.171e+01] + - [8.000e-02 , 6.189e+01] + - [8.100e-02 , 6.226e+01] + - [8.200e-02 , 6.299e+01] + - [8.300e-02 , 6.438e+01] + - [8.400e-02 , 6.685e+01] + - [8.500e-02 , 7.103e+01] + - [8.600e-02 , 7.781e+01] + diff --git a/Hydrogen/Mittal_2006_RCM_mix#1_p_15-5.yaml b/Hydrogen/Mittal_2006_RCM_mix#1_p_15-5.yaml new file mode 100644 index 0000000..7deaf36 --- /dev/null +++ b/Hydrogen/Mittal_2006_RCM_mix#1_p_15-5.yaml @@ -0,0 +1,166 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1002/kin.20180 + authors: + - name: Gaurav Mittal + - name: Chih-Jen Sung + - name: Richard A. Yetter + journal: International Journal of Chemical Kinetics + year: 2006 + volume: 38 + pages: 516-529 + detail: Fig. 7, open circle [Converted from ReSpecTh XML file x40001012_5.xml] +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: CWR RCM +datapoints: + - temperature: + - 298.3 K + ignition-delay: + - 15.2 ms + pressure: + - 335.5 torr + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 15 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.18125 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.63125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 5.535e+02] + - [1.000e-03 , 5.524e+02] + - [2.000e-03 , 5.492e+02] + - [3.000e-03 , 5.439e+02] + - [4.000e-03 , 5.365e+02] + - [5.000e-03 , 5.270e+02] + - [6.000e-03 , 5.153e+02] + - [7.000e-03 , 5.015e+02] + - [8.000e-03 , 4.856e+02] + - [9.000e-03 , 4.676e+02] + - [1.000e-02 , 4.474e+02] + - [1.100e-02 , 4.262e+02] + - [1.200e-02 , 4.050e+02] + - [1.300e-02 , 3.838e+02] + - [1.400e-02 , 3.626e+02] + - [1.500e-02 , 3.414e+02] + - [1.600e-02 , 3.201e+02] + - [1.700e-02 , 2.989e+02] + - [1.800e-02 , 2.777e+02] + - [1.900e-02 , 2.565e+02] + - [2.000e-02 , 2.353e+02] + - [2.100e-02 , 2.141e+02] + - [2.200e-02 , 1.929e+02] + - [2.300e-02 , 1.717e+02] + - [2.400e-02 , 1.504e+02] + - [2.500e-02 , 1.292e+02] + - [2.600e-02 , 1.080e+02] + - [2.700e-02 , 8.681e+01] + - [2.800e-02 , 6.914e+01] + - [2.900e-02 , 5.853e+01] + - [3.000e-02 , 5.499e+01] + - [3.100e-02 , 5.555e+01] + - [3.200e-02 , 5.608e+01] + - [3.300e-02 , 5.658e+01] + - [3.400e-02 , 5.706e+01] + - [3.500e-02 , 5.751e+01] + - [3.600e-02 , 5.793e+01] + - [3.700e-02 , 5.832e+01] + - [3.800e-02 , 5.868e+01] + - [3.900e-02 , 5.903e+01] + - [4.000e-02 , 5.935e+01] + - [4.100e-02 , 5.965e+01] + - [4.200e-02 , 5.993e+01] + - [4.300e-02 , 6.020e+01] + - [4.400e-02 , 6.045e+01] + - [4.500e-02 , 6.068e+01] + - [4.600e-02 , 6.091e+01] + - [4.700e-02 , 6.113e+01] + - [4.800e-02 , 6.134e+01] + - [4.900e-02 , 6.154e+01] + - [5.000e-02 , 6.173e+01] + - [5.100e-02 , 6.192e+01] + - [5.200e-02 , 6.210e+01] + - [5.300e-02 , 6.228e+01] + - [5.400e-02 , 6.246e+01] + - [5.500e-02 , 6.263e+01] + - [5.600e-02 , 6.279e+01] + - [5.700e-02 , 6.296e+01] + - [5.800e-02 , 6.312e+01] + - [5.900e-02 , 6.327e+01] + - [6.000e-02 , 6.343e+01] + - [6.100e-02 , 6.358e+01] + - [6.200e-02 , 6.372e+01] + - [6.300e-02 , 6.387e+01] + - [6.400e-02 , 6.401e+01] + - [6.500e-02 , 6.414e+01] + - [6.600e-02 , 6.428e+01] + - [6.700e-02 , 6.441e+01] + - [6.800e-02 , 6.454e+01] + - [6.900e-02 , 6.466e+01] + - [7.000e-02 , 6.478e+01] + - [7.100e-02 , 6.490e+01] + - [7.200e-02 , 6.502e+01] + - [7.300e-02 , 6.514e+01] + - [7.400e-02 , 6.525e+01] + - [7.500e-02 , 6.536e+01] + - [7.600e-02 , 6.547e+01] + - [7.700e-02 , 6.557e+01] + - [7.800e-02 , 6.568e+01] + - [7.900e-02 , 6.578e+01] + - [8.000e-02 , 6.589e+01] + - [8.100e-02 , 6.599e+01] + - [8.200e-02 , 6.609e+01] + - [8.300e-02 , 6.619e+01] + - [8.400e-02 , 6.629e+01] + - [8.500e-02 , 6.639e+01] + - [8.600e-02 , 6.648e+01] + - [8.700e-02 , 6.658e+01] + - [8.800e-02 , 6.667e+01] + - [8.900e-02 , 6.677e+01] + - [9.000e-02 , 6.686e+01] + - [9.100e-02 , 6.695e+01] + - [9.200e-02 , 6.704e+01] + - [9.300e-02 , 6.713e+01] + - [9.400e-02 , 6.722e+01] + - [9.500e-02 , 6.731e+01] + - [9.600e-02 , 6.739e+01] + - [9.700e-02 , 6.748e+01] + - [9.800e-02 , 6.756e+01] + - [9.900e-02 , 6.764e+01] + - [1.000e-01 , 6.772e+01] + diff --git a/Hydrogen/Mittal_2006_RCM_mix#1_p_15-6.yaml b/Hydrogen/Mittal_2006_RCM_mix#1_p_15-6.yaml new file mode 100644 index 0000000..f5f7b10 --- /dev/null +++ b/Hydrogen/Mittal_2006_RCM_mix#1_p_15-6.yaml @@ -0,0 +1,166 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1002/kin.20180 + authors: + - name: Gaurav Mittal + - name: Chih-Jen Sung + - name: Richard A. Yetter + journal: International Journal of Chemical Kinetics + year: 2006 + volume: 38 + pages: 516-529 + detail: Fig. 8, open circle [Converted from ReSpecTh XML file x40001012_6.xml] +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: CWR RCM +datapoints: + - temperature: + - 297.3 K + ignition-delay: + - 27.1 ms + pressure: + - 343.6 torr + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 15 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.18125 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.63125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 5.549e+02] + - [1.000e-03 , 5.538e+02] + - [2.000e-03 , 5.506e+02] + - [3.000e-03 , 5.453e+02] + - [4.000e-03 , 5.377e+02] + - [5.000e-03 , 5.281e+02] + - [6.000e-03 , 5.162e+02] + - [7.000e-03 , 5.023e+02] + - [8.000e-03 , 4.862e+02] + - [9.000e-03 , 4.679e+02] + - [1.000e-02 , 4.475e+02] + - [1.100e-02 , 4.260e+02] + - [1.200e-02 , 4.045e+02] + - [1.300e-02 , 3.830e+02] + - [1.400e-02 , 3.615e+02] + - [1.500e-02 , 3.401e+02] + - [1.600e-02 , 3.186e+02] + - [1.700e-02 , 2.971e+02] + - [1.800e-02 , 2.756e+02] + - [1.900e-02 , 2.541e+02] + - [2.000e-02 , 2.326e+02] + - [2.100e-02 , 2.111e+02] + - [2.200e-02 , 1.897e+02] + - [2.300e-02 , 1.682e+02] + - [2.400e-02 , 1.467e+02] + - [2.500e-02 , 1.252e+02] + - [2.600e-02 , 1.037e+02] + - [2.700e-02 , 8.330e+01] + - [2.800e-02 , 6.838e+01] + - [2.900e-02 , 5.943e+01] + - [3.000e-02 , 5.644e+01] + - [3.100e-02 , 5.688e+01] + - [3.200e-02 , 5.732e+01] + - [3.300e-02 , 5.776e+01] + - [3.400e-02 , 5.820e+01] + - [3.500e-02 , 5.862e+01] + - [3.600e-02 , 5.902e+01] + - [3.700e-02 , 5.940e+01] + - [3.800e-02 , 5.976e+01] + - [3.900e-02 , 6.010e+01] + - [4.000e-02 , 6.041e+01] + - [4.100e-02 , 6.071e+01] + - [4.200e-02 , 6.098e+01] + - [4.300e-02 , 6.124e+01] + - [4.400e-02 , 6.149e+01] + - [4.500e-02 , 6.172e+01] + - [4.600e-02 , 6.194e+01] + - [4.700e-02 , 6.214e+01] + - [4.800e-02 , 6.234e+01] + - [4.900e-02 , 6.253e+01] + - [5.000e-02 , 6.272e+01] + - [5.100e-02 , 6.290e+01] + - [5.200e-02 , 6.307e+01] + - [5.300e-02 , 6.324e+01] + - [5.400e-02 , 6.340e+01] + - [5.500e-02 , 6.356e+01] + - [5.600e-02 , 6.372e+01] + - [5.700e-02 , 6.387e+01] + - [5.800e-02 , 6.402e+01] + - [5.900e-02 , 6.417e+01] + - [6.000e-02 , 6.431e+01] + - [6.100e-02 , 6.445e+01] + - [6.200e-02 , 6.459e+01] + - [6.300e-02 , 6.473e+01] + - [6.400e-02 , 6.486e+01] + - [6.500e-02 , 6.499e+01] + - [6.600e-02 , 6.511e+01] + - [6.700e-02 , 6.523e+01] + - [6.800e-02 , 6.535e+01] + - [6.900e-02 , 6.546e+01] + - [7.000e-02 , 6.558e+01] + - [7.100e-02 , 6.569e+01] + - [7.200e-02 , 6.579e+01] + - [7.300e-02 , 6.590e+01] + - [7.400e-02 , 6.600e+01] + - [7.500e-02 , 6.610e+01] + - [7.600e-02 , 6.620e+01] + - [7.700e-02 , 6.630e+01] + - [7.800e-02 , 6.640e+01] + - [7.900e-02 , 6.649e+01] + - [8.000e-02 , 6.658e+01] + - [8.100e-02 , 6.668e+01] + - [8.200e-02 , 6.677e+01] + - [8.300e-02 , 6.686e+01] + - [8.400e-02 , 6.695e+01] + - [8.500e-02 , 6.704e+01] + - [8.600e-02 , 6.714e+01] + - [8.700e-02 , 6.722e+01] + - [8.800e-02 , 6.731e+01] + - [8.900e-02 , 6.740e+01] + - [9.000e-02 , 6.749e+01] + - [9.100e-02 , 6.758e+01] + - [9.200e-02 , 6.766e+01] + - [9.300e-02 , 6.775e+01] + - [9.400e-02 , 6.783e+01] + - [9.500e-02 , 6.791e+01] + - [9.600e-02 , 6.799e+01] + - [9.700e-02 , 6.807e+01] + - [9.800e-02 , 6.815e+01] + - [9.900e-02 , 6.823e+01] + - [1.000e-01 , 6.830e+01] + diff --git a/Hydrogen/Mittal_2006_RCM_mix#1_p_30-1.yaml b/Hydrogen/Mittal_2006_RCM_mix#1_p_30-1.yaml new file mode 100644 index 0000000..45a614d --- /dev/null +++ b/Hydrogen/Mittal_2006_RCM_mix#1_p_30-1.yaml @@ -0,0 +1,151 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1002/kin.20180 + authors: + - name: Gaurav Mittal + - name: Chih-Jen Sung + - name: Richard A. Yetter + journal: International Journal of Chemical Kinetics + year: 2006 + volume: 38 + pages: 516-529 + detail: Fig. 7, open circle [Converted from ReSpecTh XML file x40001007_1.xml] +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: CWR RCM +datapoints: + - temperature: + - 297.9 K + ignition-delay: + - 1.32 ms + pressure: + - 572.3 torr + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 30 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.18125 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.63125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 5.475e+02] + - [1.000e-03 , 5.429e+02] + - [2.000e-03 , 5.293e+02] + - [3.000e-03 , 5.112e+02] + - [4.000e-03 , 4.931e+02] + - [5.000e-03 , 4.750e+02] + - [6.000e-03 , 4.568e+02] + - [7.000e-03 , 4.387e+02] + - [8.000e-03 , 4.206e+02] + - [9.000e-03 , 4.025e+02] + - [1.000e-02 , 3.843e+02] + - [1.100e-02 , 3.662e+02] + - [1.200e-02 , 3.481e+02] + - [1.300e-02 , 3.300e+02] + - [1.400e-02 , 3.118e+02] + - [1.500e-02 , 2.937e+02] + - [1.600e-02 , 2.756e+02] + - [1.700e-02 , 2.574e+02] + - [1.800e-02 , 2.393e+02] + - [1.900e-02 , 2.212e+02] + - [2.000e-02 , 2.031e+02] + - [2.100e-02 , 1.849e+02] + - [2.200e-02 , 1.668e+02] + - [2.300e-02 , 1.487e+02] + - [2.400e-02 , 1.306e+02] + - [2.500e-02 , 1.124e+02] + - [2.600e-02 , 9.431e+01] + - [2.700e-02 , 7.618e+01] + - [2.800e-02 , 6.108e+01] + - [2.900e-02 , 5.202e+01] + - [3.000e-02 , 4.899e+01] + - [3.100e-02 , 4.934e+01] + - [3.200e-02 , 4.973e+01] + - [3.300e-02 , 5.014e+01] + - [3.400e-02 , 5.054e+01] + - [3.500e-02 , 5.093e+01] + - [3.600e-02 , 5.130e+01] + - [3.700e-02 , 5.165e+01] + - [3.800e-02 , 5.198e+01] + - [3.900e-02 , 5.229e+01] + - [4.000e-02 , 5.258e+01] + - [4.100e-02 , 5.286e+01] + - [4.200e-02 , 5.313e+01] + - [4.300e-02 , 5.338e+01] + - [4.400e-02 , 5.362e+01] + - [4.500e-02 , 5.385e+01] + - [4.600e-02 , 5.407e+01] + - [4.700e-02 , 5.427e+01] + - [4.800e-02 , 5.446e+01] + - [4.900e-02 , 5.465e+01] + - [5.000e-02 , 5.482e+01] + - [5.100e-02 , 5.499e+01] + - [5.200e-02 , 5.515e+01] + - [5.300e-02 , 5.531e+01] + - [5.400e-02 , 5.546e+01] + - [5.500e-02 , 5.561e+01] + - [5.600e-02 , 5.576e+01] + - [5.700e-02 , 5.590e+01] + - [5.800e-02 , 5.604e+01] + - [5.900e-02 , 5.618e+01] + - [6.000e-02 , 5.631e+01] + - [6.100e-02 , 5.644e+01] + - [6.200e-02 , 5.657e+01] + - [6.300e-02 , 5.669e+01] + - [6.400e-02 , 5.680e+01] + - [6.500e-02 , 5.692e+01] + - [6.600e-02 , 5.702e+01] + - [6.700e-02 , 5.713e+01] + - [6.800e-02 , 5.723e+01] + - [6.900e-02 , 5.733e+01] + - [7.000e-02 , 5.743e+01] + - [7.100e-02 , 5.753e+01] + - [7.200e-02 , 5.763e+01] + - [7.300e-02 , 5.774e+01] + - [7.400e-02 , 5.784e+01] + - [7.500e-02 , 5.793e+01] + - [7.600e-02 , 5.803e+01] + - [7.700e-02 , 5.811e+01] + - [7.800e-02 , 5.819e+01] + - [7.900e-02 , 5.828e+01] + - [8.000e-02 , 5.837e+01] + - [8.100e-02 , 5.851e+01] + - [8.200e-02 , 5.874e+01] + - [8.300e-02 , 5.913e+01] + - [8.400e-02 , 5.978e+01] + - [8.500e-02 , 6.088e+01] + diff --git a/Hydrogen/Mittal_2006_RCM_mix#1_p_30-3.yaml b/Hydrogen/Mittal_2006_RCM_mix#1_p_30-3.yaml new file mode 100644 index 0000000..b5428d5 --- /dev/null +++ b/Hydrogen/Mittal_2006_RCM_mix#1_p_30-3.yaml @@ -0,0 +1,166 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1002/kin.20180 + authors: + - name: Gaurav Mittal + - name: Chih-Jen Sung + - name: Richard A. Yetter + journal: International Journal of Chemical Kinetics + year: 2006 + volume: 38 + pages: 516-529 + detail: Fig. 7, open circle [Converted from ReSpecTh XML file x40001007_3.xml] +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: CWR RCM +datapoints: + - temperature: + - 298.1 K + ignition-delay: + - 4.3 ms + pressure: + - 640 torr + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 30 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.18125 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.63125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 5.515e+02] + - [1.000e-03 , 5.469e+02] + - [2.000e-03 , 5.333e+02] + - [3.000e-03 , 5.152e+02] + - [4.000e-03 , 4.971e+02] + - [5.000e-03 , 4.790e+02] + - [6.000e-03 , 4.608e+02] + - [7.000e-03 , 4.427e+02] + - [8.000e-03 , 4.246e+02] + - [9.000e-03 , 4.065e+02] + - [1.000e-02 , 3.883e+02] + - [1.100e-02 , 3.702e+02] + - [1.200e-02 , 3.521e+02] + - [1.300e-02 , 3.340e+02] + - [1.400e-02 , 3.158e+02] + - [1.500e-02 , 2.977e+02] + - [1.600e-02 , 2.796e+02] + - [1.700e-02 , 2.614e+02] + - [1.800e-02 , 2.433e+02] + - [1.900e-02 , 2.252e+02] + - [2.000e-02 , 2.071e+02] + - [2.100e-02 , 1.889e+02] + - [2.200e-02 , 1.708e+02] + - [2.300e-02 , 1.527e+02] + - [2.400e-02 , 1.346e+02] + - [2.500e-02 , 1.164e+02] + - [2.600e-02 , 9.831e+01] + - [2.700e-02 , 8.018e+01] + - [2.800e-02 , 6.508e+01] + - [2.900e-02 , 5.602e+01] + - [3.000e-02 , 5.299e+01] + - [3.100e-02 , 5.336e+01] + - [3.200e-02 , 5.377e+01] + - [3.300e-02 , 5.418e+01] + - [3.400e-02 , 5.459e+01] + - [3.500e-02 , 5.499e+01] + - [3.600e-02 , 5.537e+01] + - [3.700e-02 , 5.573e+01] + - [3.800e-02 , 5.606e+01] + - [3.900e-02 , 5.637e+01] + - [4.000e-02 , 5.666e+01] + - [4.100e-02 , 5.692e+01] + - [4.200e-02 , 5.717e+01] + - [4.300e-02 , 5.740e+01] + - [4.400e-02 , 5.761e+01] + - [4.500e-02 , 5.781e+01] + - [4.600e-02 , 5.800e+01] + - [4.700e-02 , 5.818e+01] + - [4.800e-02 , 5.836e+01] + - [4.900e-02 , 5.853e+01] + - [5.000e-02 , 5.869e+01] + - [5.100e-02 , 5.885e+01] + - [5.200e-02 , 5.900e+01] + - [5.300e-02 , 5.915e+01] + - [5.400e-02 , 5.930e+01] + - [5.500e-02 , 5.944e+01] + - [5.600e-02 , 5.958e+01] + - [5.700e-02 , 5.972e+01] + - [5.800e-02 , 5.985e+01] + - [5.900e-02 , 5.998e+01] + - [6.000e-02 , 6.011e+01] + - [6.100e-02 , 6.023e+01] + - [6.200e-02 , 6.035e+01] + - [6.300e-02 , 6.047e+01] + - [6.400e-02 , 6.058e+01] + - [6.500e-02 , 6.069e+01] + - [6.600e-02 , 6.080e+01] + - [6.700e-02 , 6.091e+01] + - [6.800e-02 , 6.101e+01] + - [6.900e-02 , 6.111e+01] + - [7.000e-02 , 6.121e+01] + - [7.100e-02 , 6.131e+01] + - [7.200e-02 , 6.141e+01] + - [7.300e-02 , 6.150e+01] + - [7.400e-02 , 6.160e+01] + - [7.500e-02 , 6.169e+01] + - [7.600e-02 , 6.178e+01] + - [7.700e-02 , 6.187e+01] + - [7.800e-02 , 6.196e+01] + - [7.900e-02 , 6.205e+01] + - [8.000e-02 , 6.214e+01] + - [8.100e-02 , 6.222e+01] + - [8.200e-02 , 6.231e+01] + - [8.300e-02 , 6.239e+01] + - [8.400e-02 , 6.248e+01] + - [8.500e-02 , 6.256e+01] + - [8.600e-02 , 6.264e+01] + - [8.700e-02 , 6.271e+01] + - [8.800e-02 , 6.279e+01] + - [8.900e-02 , 6.286e+01] + - [9.000e-02 , 6.294e+01] + - [9.100e-02 , 6.301e+01] + - [9.200e-02 , 6.308e+01] + - [9.300e-02 , 6.315e+01] + - [9.400e-02 , 6.322e+01] + - [9.500e-02 , 6.329e+01] + - [9.600e-02 , 6.336e+01] + - [9.700e-02 , 6.343e+01] + - [9.800e-02 , 6.350e+01] + - [9.900e-02 , 6.357e+01] + - [1.000e-01 , 6.364e+01] + diff --git a/Hydrogen/Mittal_2006_RCM_mix#1_p_30-5.yaml b/Hydrogen/Mittal_2006_RCM_mix#1_p_30-5.yaml new file mode 100644 index 0000000..d2bb472 --- /dev/null +++ b/Hydrogen/Mittal_2006_RCM_mix#1_p_30-5.yaml @@ -0,0 +1,166 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1002/kin.20180 + authors: + - name: Gaurav Mittal + - name: Chih-Jen Sung + - name: Richard A. Yetter + journal: International Journal of Chemical Kinetics + year: 2006 + volume: 38 + pages: 516-529 + detail: Fig. 7, open circle [Converted from ReSpecTh XML file x40001007_5.xml] +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: CWR RCM +datapoints: + - temperature: + - 298.1 K + ignition-delay: + - 13.9 ms + pressure: + - 705.8 torr + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 30 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.18125 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.63125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 5.559e+02] + - [1.000e-03 , 5.513e+02] + - [2.000e-03 , 5.377e+02] + - [3.000e-03 , 5.196e+02] + - [4.000e-03 , 5.015e+02] + - [5.000e-03 , 4.834e+02] + - [6.000e-03 , 4.652e+02] + - [7.000e-03 , 4.471e+02] + - [8.000e-03 , 4.290e+02] + - [9.000e-03 , 4.109e+02] + - [1.000e-02 , 3.927e+02] + - [1.100e-02 , 3.746e+02] + - [1.200e-02 , 3.565e+02] + - [1.300e-02 , 3.384e+02] + - [1.400e-02 , 3.202e+02] + - [1.500e-02 , 3.021e+02] + - [1.600e-02 , 2.840e+02] + - [1.700e-02 , 2.658e+02] + - [1.800e-02 , 2.477e+02] + - [1.900e-02 , 2.296e+02] + - [2.000e-02 , 2.115e+02] + - [2.100e-02 , 1.933e+02] + - [2.200e-02 , 1.752e+02] + - [2.300e-02 , 1.571e+02] + - [2.400e-02 , 1.390e+02] + - [2.500e-02 , 1.208e+02] + - [2.600e-02 , 1.027e+02] + - [2.700e-02 , 8.458e+01] + - [2.800e-02 , 6.948e+01] + - [2.900e-02 , 6.042e+01] + - [3.000e-02 , 5.739e+01] + - [3.100e-02 , 5.773e+01] + - [3.200e-02 , 5.807e+01] + - [3.300e-02 , 5.841e+01] + - [3.400e-02 , 5.873e+01] + - [3.500e-02 , 5.905e+01] + - [3.600e-02 , 5.936e+01] + - [3.700e-02 , 5.965e+01] + - [3.800e-02 , 5.994e+01] + - [3.900e-02 , 6.021e+01] + - [4.000e-02 , 6.047e+01] + - [4.100e-02 , 6.072e+01] + - [4.200e-02 , 6.096e+01] + - [4.300e-02 , 6.119e+01] + - [4.400e-02 , 6.140e+01] + - [4.500e-02 , 6.161e+01] + - [4.600e-02 , 6.180e+01] + - [4.700e-02 , 6.199e+01] + - [4.800e-02 , 6.217e+01] + - [4.900e-02 , 6.234e+01] + - [5.000e-02 , 6.251e+01] + - [5.100e-02 , 6.267e+01] + - [5.200e-02 , 6.282e+01] + - [5.300e-02 , 6.297e+01] + - [5.400e-02 , 6.311e+01] + - [5.500e-02 , 6.325e+01] + - [5.600e-02 , 6.339e+01] + - [5.700e-02 , 6.352e+01] + - [5.800e-02 , 6.365e+01] + - [5.900e-02 , 6.377e+01] + - [6.000e-02 , 6.390e+01] + - [6.100e-02 , 6.402e+01] + - [6.200e-02 , 6.414e+01] + - [6.300e-02 , 6.425e+01] + - [6.400e-02 , 6.436e+01] + - [6.500e-02 , 6.447e+01] + - [6.600e-02 , 6.458e+01] + - [6.700e-02 , 6.469e+01] + - [6.800e-02 , 6.480e+01] + - [6.900e-02 , 6.490e+01] + - [7.000e-02 , 6.500e+01] + - [7.100e-02 , 6.510e+01] + - [7.200e-02 , 6.520e+01] + - [7.300e-02 , 6.529e+01] + - [7.400e-02 , 6.539e+01] + - [7.500e-02 , 6.548e+01] + - [7.600e-02 , 6.557e+01] + - [7.700e-02 , 6.566e+01] + - [7.800e-02 , 6.575e+01] + - [7.900e-02 , 6.583e+01] + - [8.000e-02 , 6.592e+01] + - [8.100e-02 , 6.600e+01] + - [8.200e-02 , 6.608e+01] + - [8.300e-02 , 6.616e+01] + - [8.400e-02 , 6.624e+01] + - [8.500e-02 , 6.631e+01] + - [8.600e-02 , 6.639e+01] + - [8.700e-02 , 6.646e+01] + - [8.800e-02 , 6.653e+01] + - [8.900e-02 , 6.661e+01] + - [9.000e-02 , 6.668e+01] + - [9.100e-02 , 6.675e+01] + - [9.200e-02 , 6.681e+01] + - [9.300e-02 , 6.688e+01] + - [9.400e-02 , 6.695e+01] + - [9.500e-02 , 6.701e+01] + - [9.600e-02 , 6.708e+01] + - [9.700e-02 , 6.714e+01] + - [9.800e-02 , 6.721e+01] + - [9.900e-02 , 6.727e+01] + - [1.000e-01 , 6.734e+01] + diff --git a/Hydrogen/Mittal_2006_RCM_mix#1_p_30-6.yaml b/Hydrogen/Mittal_2006_RCM_mix#1_p_30-6.yaml new file mode 100644 index 0000000..923cf5b --- /dev/null +++ b/Hydrogen/Mittal_2006_RCM_mix#1_p_30-6.yaml @@ -0,0 +1,166 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1002/kin.20180 + authors: + - name: Gaurav Mittal + - name: Chih-Jen Sung + - name: Richard A. Yetter + journal: International Journal of Chemical Kinetics + year: 2006 + volume: 38 + pages: 516-529 + detail: Fig. 7, open circle [Converted from ReSpecTh XML file x40001007_6.xml] +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: CWR RCM +datapoints: + - temperature: + - 296.9 K + ignition-delay: + - 41.7 ms + pressure: + - 758 torr + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 30 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.18125 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.63125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 5.583e+02] + - [1.000e-03 , 5.572e+02] + - [2.000e-03 , 5.540e+02] + - [3.000e-03 , 5.487e+02] + - [4.000e-03 , 5.413e+02] + - [5.000e-03 , 5.318e+02] + - [6.000e-03 , 5.201e+02] + - [7.000e-03 , 5.063e+02] + - [8.000e-03 , 4.904e+02] + - [9.000e-03 , 4.724e+02] + - [1.000e-02 , 4.522e+02] + - [1.100e-02 , 4.310e+02] + - [1.200e-02 , 4.098e+02] + - [1.300e-02 , 3.886e+02] + - [1.400e-02 , 3.674e+02] + - [1.500e-02 , 3.462e+02] + - [1.600e-02 , 3.249e+02] + - [1.700e-02 , 3.037e+02] + - [1.800e-02 , 2.825e+02] + - [1.900e-02 , 2.613e+02] + - [2.000e-02 , 2.401e+02] + - [2.100e-02 , 2.189e+02] + - [2.200e-02 , 1.977e+02] + - [2.300e-02 , 1.765e+02] + - [2.400e-02 , 1.552e+02] + - [2.500e-02 , 1.340e+02] + - [2.600e-02 , 1.128e+02] + - [2.700e-02 , 9.161e+01] + - [2.800e-02 , 7.394e+01] + - [2.900e-02 , 6.333e+01] + - [3.000e-02 , 5.979e+01] + - [3.100e-02 , 6.036e+01] + - [3.200e-02 , 6.082e+01] + - [3.300e-02 , 6.120e+01] + - [3.400e-02 , 6.152e+01] + - [3.500e-02 , 6.182e+01] + - [3.600e-02 , 6.209e+01] + - [3.700e-02 , 6.234e+01] + - [3.800e-02 , 6.259e+01] + - [3.900e-02 , 6.283e+01] + - [4.000e-02 , 6.306e+01] + - [4.100e-02 , 6.330e+01] + - [4.200e-02 , 6.352e+01] + - [4.300e-02 , 6.375e+01] + - [4.400e-02 , 6.396e+01] + - [4.500e-02 , 6.417e+01] + - [4.600e-02 , 6.437e+01] + - [4.700e-02 , 6.457e+01] + - [4.800e-02 , 6.475e+01] + - [4.900e-02 , 6.493e+01] + - [5.000e-02 , 6.510e+01] + - [5.100e-02 , 6.526e+01] + - [5.200e-02 , 6.542e+01] + - [5.300e-02 , 6.556e+01] + - [5.400e-02 , 6.570e+01] + - [5.500e-02 , 6.584e+01] + - [5.600e-02 , 6.597e+01] + - [5.700e-02 , 6.610e+01] + - [5.800e-02 , 6.622e+01] + - [5.900e-02 , 6.634e+01] + - [6.000e-02 , 6.646e+01] + - [6.100e-02 , 6.657e+01] + - [6.200e-02 , 6.669e+01] + - [6.300e-02 , 6.680e+01] + - [6.400e-02 , 6.691e+01] + - [6.500e-02 , 6.702e+01] + - [6.600e-02 , 6.712e+01] + - [6.700e-02 , 6.723e+01] + - [6.800e-02 , 6.733e+01] + - [6.900e-02 , 6.743e+01] + - [7.000e-02 , 6.753e+01] + - [7.100e-02 , 6.763e+01] + - [7.200e-02 , 6.772e+01] + - [7.300e-02 , 6.781e+01] + - [7.400e-02 , 6.790e+01] + - [7.500e-02 , 6.799e+01] + - [7.600e-02 , 6.808e+01] + - [7.700e-02 , 6.816e+01] + - [7.800e-02 , 6.824e+01] + - [7.900e-02 , 6.832e+01] + - [8.000e-02 , 6.840e+01] + - [8.100e-02 , 6.848e+01] + - [8.200e-02 , 6.856e+01] + - [8.300e-02 , 6.863e+01] + - [8.400e-02 , 6.871e+01] + - [8.500e-02 , 6.878e+01] + - [8.600e-02 , 6.886e+01] + - [8.700e-02 , 6.893e+01] + - [8.800e-02 , 6.901e+01] + - [8.900e-02 , 6.908e+01] + - [9.000e-02 , 6.915e+01] + - [9.100e-02 , 6.922e+01] + - [9.200e-02 , 6.929e+01] + - [9.300e-02 , 6.936e+01] + - [9.400e-02 , 6.943e+01] + - [9.500e-02 , 6.949e+01] + - [9.600e-02 , 6.956e+01] + - [9.700e-02 , 6.962e+01] + - [9.800e-02 , 6.968e+01] + - [9.900e-02 , 6.974e+01] + - [1.000e-01 , 6.980e+01] + diff --git a/Hydrogen/Mittal_2006_RCM_mix#1_p_50-1.yaml b/Hydrogen/Mittal_2006_RCM_mix#1_p_50-1.yaml new file mode 100644 index 0000000..cf5e140 --- /dev/null +++ b/Hydrogen/Mittal_2006_RCM_mix#1_p_50-1.yaml @@ -0,0 +1,162 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1002/kin.20180 + authors: + - name: Gaurav Mittal + - name: Chih-Jen Sung + - name: Richard A. Yetter + journal: International Journal of Chemical Kinetics + year: 2006 + volume: 38 + pages: 516-529 + detail: Fig. 6, open circle [Converted from ReSpecTh XML file x40001002_1.xml] +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: CWR RCM +datapoints: + - temperature: + - 297.4 K + ignition-delay: + - 1.0 ms + pressure: + - 958 torr + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 50 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.18125 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.63125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 5.477e+02] + - [1.000e-03 , 5.466e+02] + - [2.000e-03 , 5.434e+02] + - [3.000e-03 , 5.381e+02] + - [4.000e-03 , 5.307e+02] + - [5.000e-03 , 5.212e+02] + - [6.000e-03 , 5.095e+02] + - [7.000e-03 , 4.957e+02] + - [8.000e-03 , 4.798e+02] + - [9.000e-03 , 4.618e+02] + - [1.000e-02 , 4.416e+02] + - [1.100e-02 , 4.204e+02] + - [1.200e-02 , 3.992e+02] + - [1.300e-02 , 3.780e+02] + - [1.400e-02 , 3.568e+02] + - [1.500e-02 , 3.356e+02] + - [1.600e-02 , 3.143e+02] + - [1.700e-02 , 2.931e+02] + - [1.800e-02 , 2.719e+02] + - [1.900e-02 , 2.507e+02] + - [2.000e-02 , 2.295e+02] + - [2.100e-02 , 2.083e+02] + - [2.200e-02 , 1.871e+02] + - [2.300e-02 , 1.659e+02] + - [2.400e-02 , 1.446e+02] + - [2.500e-02 , 1.234e+02] + - [2.600e-02 , 1.022e+02] + - [2.700e-02 , 8.101e+01] + - [2.800e-02 , 6.334e+01] + - [2.900e-02 , 5.273e+01] + - [3.000e-02 , 4.919e+01] + - [3.100e-02 , 4.971e+01] + - [3.200e-02 , 5.021e+01] + - [3.300e-02 , 5.065e+01] + - [3.400e-02 , 5.102e+01] + - [3.500e-02 , 5.134e+01] + - [3.600e-02 , 5.160e+01] + - [3.700e-02 , 5.182e+01] + - [3.800e-02 , 5.201e+01] + - [3.900e-02 , 5.219e+01] + - [4.000e-02 , 5.235e+01] + - [4.100e-02 , 5.252e+01] + - [4.200e-02 , 5.268e+01] + - [4.300e-02 , 5.285e+01] + - [4.400e-02 , 5.302e+01] + - [4.500e-02 , 5.320e+01] + - [4.600e-02 , 5.337e+01] + - [4.700e-02 , 5.355e+01] + - [4.800e-02 , 5.373e+01] + - [4.900e-02 , 5.390e+01] + - [5.000e-02 , 5.406e+01] + - [5.100e-02 , 5.421e+01] + - [5.200e-02 , 5.436e+01] + - [5.300e-02 , 5.449e+01] + - [5.400e-02 , 5.462e+01] + - [5.500e-02 , 5.474e+01] + - [5.600e-02 , 5.485e+01] + - [5.700e-02 , 5.496e+01] + - [5.800e-02 , 5.506e+01] + - [5.900e-02 , 5.517e+01] + - [6.000e-02 , 5.527e+01] + - [6.100e-02 , 5.537e+01] + - [6.200e-02 , 5.547e+01] + - [6.300e-02 , 5.557e+01] + - [6.400e-02 , 5.567e+01] + - [6.500e-02 , 5.578e+01] + - [6.600e-02 , 5.588e+01] + - [6.700e-02 , 5.598e+01] + - [6.800e-02 , 5.608e+01] + - [6.900e-02 , 5.617e+01] + - [7.000e-02 , 5.626e+01] + - [7.100e-02 , 5.634e+01] + - [7.200e-02 , 5.643e+01] + - [7.300e-02 , 5.650e+01] + - [7.400e-02 , 5.658e+01] + - [7.500e-02 , 5.665e+01] + - [7.600e-02 , 5.672e+01] + - [7.700e-02 , 5.679e+01] + - [7.800e-02 , 5.687e+01] + - [7.900e-02 , 5.695e+01] + - [8.000e-02 , 5.703e+01] + - [8.100e-02 , 5.711e+01] + - [8.200e-02 , 5.720e+01] + - [8.300e-02 , 5.728e+01] + - [8.400e-02 , 5.735e+01] + - [8.500e-02 , 5.742e+01] + - [8.600e-02 , 5.747e+01] + - [8.700e-02 , 5.752e+01] + - [8.800e-02 , 5.758e+01] + - [8.900e-02 , 5.766e+01] + - [9.000e-02 , 5.781e+01] + - [9.100e-02 , 5.808e+01] + - [9.200e-02 , 5.859e+01] + - [9.300e-02 , 5.947e+01] + - [9.400e-02 , 6.093e+01] + - [9.500e-02 , 6.325e+01] + - [9.600e-02 , 6.681e+01] + diff --git a/Hydrogen/Mittal_2006_RCM_mix#1_p_50-2.yaml b/Hydrogen/Mittal_2006_RCM_mix#1_p_50-2.yaml new file mode 100644 index 0000000..cd0dafd --- /dev/null +++ b/Hydrogen/Mittal_2006_RCM_mix#1_p_50-2.yaml @@ -0,0 +1,166 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1002/kin.20180 + authors: + - name: Gaurav Mittal + - name: Chih-Jen Sung + - name: Richard A. Yetter + journal: International Journal of Chemical Kinetics + year: 2006 + volume: 38 + pages: 516-529 + detail: Fig. 6, open circle [Converted from ReSpecTh XML file x40001002_2.xml] +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: CWR RCM +datapoints: + - temperature: + - 298.3 K + ignition-delay: + - 1.7 ms + pressure: + - 1021.7 torr + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 50 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.18125 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.63125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 5.498e+02] + - [1.000e-03 , 5.488e+02] + - [2.000e-03 , 5.456e+02] + - [3.000e-03 , 5.403e+02] + - [4.000e-03 , 5.329e+02] + - [5.000e-03 , 5.233e+02] + - [6.000e-03 , 5.116e+02] + - [7.000e-03 , 4.979e+02] + - [8.000e-03 , 4.819e+02] + - [9.000e-03 , 4.639e+02] + - [1.000e-02 , 4.438e+02] + - [1.100e-02 , 4.225e+02] + - [1.200e-02 , 4.013e+02] + - [1.300e-02 , 3.801e+02] + - [1.400e-02 , 3.589e+02] + - [1.500e-02 , 3.377e+02] + - [1.600e-02 , 3.165e+02] + - [1.700e-02 , 2.953e+02] + - [1.800e-02 , 2.741e+02] + - [1.900e-02 , 2.529e+02] + - [2.000e-02 , 2.316e+02] + - [2.100e-02 , 2.104e+02] + - [2.200e-02 , 1.892e+02] + - [2.300e-02 , 1.680e+02] + - [2.400e-02 , 1.468e+02] + - [2.500e-02 , 1.256e+02] + - [2.600e-02 , 1.044e+02] + - [2.700e-02 , 8.316e+01] + - [2.800e-02 , 6.549e+01] + - [2.900e-02 , 5.488e+01] + - [3.000e-02 , 5.134e+01] + - [3.100e-02 , 5.185e+01] + - [3.200e-02 , 5.231e+01] + - [3.300e-02 , 5.272e+01] + - [3.400e-02 , 5.309e+01] + - [3.500e-02 , 5.344e+01] + - [3.600e-02 , 5.376e+01] + - [3.700e-02 , 5.405e+01] + - [3.800e-02 , 5.433e+01] + - [3.900e-02 , 5.459e+01] + - [4.000e-02 , 5.483e+01] + - [4.100e-02 , 5.506e+01] + - [4.200e-02 , 5.528e+01] + - [4.300e-02 , 5.549e+01] + - [4.400e-02 , 5.569e+01] + - [4.500e-02 , 5.588e+01] + - [4.600e-02 , 5.606e+01] + - [4.700e-02 , 5.624e+01] + - [4.800e-02 , 5.641e+01] + - [4.900e-02 , 5.657e+01] + - [5.000e-02 , 5.672e+01] + - [5.100e-02 , 5.688e+01] + - [5.200e-02 , 5.702e+01] + - [5.300e-02 , 5.716e+01] + - [5.400e-02 , 5.730e+01] + - [5.500e-02 , 5.743e+01] + - [5.600e-02 , 5.756e+01] + - [5.700e-02 , 5.768e+01] + - [5.800e-02 , 5.780e+01] + - [5.900e-02 , 5.792e+01] + - [6.000e-02 , 5.804e+01] + - [6.100e-02 , 5.815e+01] + - [6.200e-02 , 5.826e+01] + - [6.300e-02 , 5.836e+01] + - [6.400e-02 , 5.847e+01] + - [6.500e-02 , 5.857e+01] + - [6.600e-02 , 5.867e+01] + - [6.700e-02 , 5.877e+01] + - [6.800e-02 , 5.887e+01] + - [6.900e-02 , 5.897e+01] + - [7.000e-02 , 5.906e+01] + - [7.100e-02 , 5.916e+01] + - [7.200e-02 , 5.925e+01] + - [7.300e-02 , 5.934e+01] + - [7.400e-02 , 5.943e+01] + - [7.500e-02 , 5.951e+01] + - [7.600e-02 , 5.960e+01] + - [7.700e-02 , 5.969e+01] + - [7.800e-02 , 5.977e+01] + - [7.900e-02 , 5.985e+01] + - [8.000e-02 , 5.993e+01] + - [8.100e-02 , 6.001e+01] + - [8.200e-02 , 6.009e+01] + - [8.300e-02 , 6.017e+01] + - [8.400e-02 , 6.025e+01] + - [8.500e-02 , 6.032e+01] + - [8.600e-02 , 6.040e+01] + - [8.700e-02 , 6.047e+01] + - [8.800e-02 , 6.054e+01] + - [8.900e-02 , 6.061e+01] + - [9.000e-02 , 6.068e+01] + - [9.100e-02 , 6.075e+01] + - [9.200e-02 , 6.082e+01] + - [9.300e-02 , 6.089e+01] + - [9.400e-02 , 6.096e+01] + - [9.500e-02 , 6.102e+01] + - [9.600e-02 , 6.109e+01] + - [9.700e-02 , 6.116e+01] + - [9.800e-02 , 6.122e+01] + - [9.900e-02 , 6.129e+01] + - [1.000e-01 , 6.135e+01] + diff --git a/Hydrogen/Mittal_2006_RCM_mix#1_p_50-4.yaml b/Hydrogen/Mittal_2006_RCM_mix#1_p_50-4.yaml new file mode 100644 index 0000000..e56e922 --- /dev/null +++ b/Hydrogen/Mittal_2006_RCM_mix#1_p_50-4.yaml @@ -0,0 +1,166 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1002/kin.20180 + authors: + - name: Gaurav Mittal + - name: Chih-Jen Sung + - name: Richard A. Yetter + journal: International Journal of Chemical Kinetics + year: 2006 + volume: 38 + pages: 516-529 + detail: Fig. 6, open circle [Converted from ReSpecTh XML file x40001002_2.xml] +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: CWR RCM +datapoints: + - temperature: + - 296.8 K + ignition-delay: + - 6.5 ms + pressure: + - 1140 torr + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 50 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.18125 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.63125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 5.544e+02] + - [1.000e-03 , 5.534e+02] + - [2.000e-03 , 5.502e+02] + - [3.000e-03 , 5.449e+02] + - [4.000e-03 , 5.375e+02] + - [5.000e-03 , 5.279e+02] + - [6.000e-03 , 5.162e+02] + - [7.000e-03 , 5.025e+02] + - [8.000e-03 , 4.865e+02] + - [9.000e-03 , 4.685e+02] + - [1.000e-02 , 4.484e+02] + - [1.100e-02 , 4.271e+02] + - [1.200e-02 , 4.059e+02] + - [1.300e-02 , 3.847e+02] + - [1.400e-02 , 3.635e+02] + - [1.500e-02 , 3.423e+02] + - [1.600e-02 , 3.211e+02] + - [1.700e-02 , 2.999e+02] + - [1.800e-02 , 2.787e+02] + - [1.900e-02 , 2.575e+02] + - [2.000e-02 , 2.362e+02] + - [2.100e-02 , 2.150e+02] + - [2.200e-02 , 1.938e+02] + - [2.300e-02 , 1.726e+02] + - [2.400e-02 , 1.514e+02] + - [2.500e-02 , 1.302e+02] + - [2.600e-02 , 1.090e+02] + - [2.700e-02 , 8.776e+01] + - [2.800e-02 , 7.009e+01] + - [2.900e-02 , 5.948e+01] + - [3.000e-02 , 5.594e+01] + - [3.100e-02 , 5.641e+01] + - [3.200e-02 , 5.681e+01] + - [3.300e-02 , 5.715e+01] + - [3.400e-02 , 5.746e+01] + - [3.500e-02 , 5.773e+01] + - [3.600e-02 , 5.798e+01] + - [3.700e-02 , 5.821e+01] + - [3.800e-02 , 5.843e+01] + - [3.900e-02 , 5.864e+01] + - [4.000e-02 , 5.885e+01] + - [4.100e-02 , 5.905e+01] + - [4.200e-02 , 5.924e+01] + - [4.300e-02 , 5.942e+01] + - [4.400e-02 , 5.961e+01] + - [4.500e-02 , 5.978e+01] + - [4.600e-02 , 5.996e+01] + - [4.700e-02 , 6.012e+01] + - [4.800e-02 , 6.029e+01] + - [4.900e-02 , 6.045e+01] + - [5.000e-02 , 6.060e+01] + - [5.100e-02 , 6.075e+01] + - [5.200e-02 , 6.089e+01] + - [5.300e-02 , 6.103e+01] + - [5.400e-02 , 6.116e+01] + - [5.500e-02 , 6.129e+01] + - [5.600e-02 , 6.142e+01] + - [5.700e-02 , 6.154e+01] + - [5.800e-02 , 6.166e+01] + - [5.900e-02 , 6.178e+01] + - [6.000e-02 , 6.189e+01] + - [6.100e-02 , 6.200e+01] + - [6.200e-02 , 6.211e+01] + - [6.300e-02 , 6.222e+01] + - [6.400e-02 , 6.232e+01] + - [6.500e-02 , 6.243e+01] + - [6.600e-02 , 6.253e+01] + - [6.700e-02 , 6.263e+01] + - [6.800e-02 , 6.273e+01] + - [6.900e-02 , 6.282e+01] + - [7.000e-02 , 6.292e+01] + - [7.100e-02 , 6.301e+01] + - [7.200e-02 , 6.310e+01] + - [7.300e-02 , 6.319e+01] + - [7.400e-02 , 6.328e+01] + - [7.500e-02 , 6.337e+01] + - [7.600e-02 , 6.345e+01] + - [7.700e-02 , 6.354e+01] + - [7.800e-02 , 6.362e+01] + - [7.900e-02 , 6.370e+01] + - [8.000e-02 , 6.378e+01] + - [8.100e-02 , 6.386e+01] + - [8.200e-02 , 6.394e+01] + - [8.300e-02 , 6.401e+01] + - [8.400e-02 , 6.409e+01] + - [8.500e-02 , 6.416e+01] + - [8.600e-02 , 6.424e+01] + - [8.700e-02 , 6.431e+01] + - [8.800e-02 , 6.438e+01] + - [8.900e-02 , 6.445e+01] + - [9.000e-02 , 6.452e+01] + - [9.100e-02 , 6.459e+01] + - [9.200e-02 , 6.466e+01] + - [9.300e-02 , 6.473e+01] + - [9.400e-02 , 6.479e+01] + - [9.500e-02 , 6.486e+01] + - [9.600e-02 , 6.492e+01] + - [9.700e-02 , 6.499e+01] + - [9.800e-02 , 6.505e+01] + - [9.900e-02 , 6.511e+01] + - [1.000e-01 , 6.518e+01] + diff --git a/Hydrogen/Mittal_2006_RCM_mix#1_p_50-5.yaml b/Hydrogen/Mittal_2006_RCM_mix#1_p_50-5.yaml new file mode 100644 index 0000000..0c644da --- /dev/null +++ b/Hydrogen/Mittal_2006_RCM_mix#1_p_50-5.yaml @@ -0,0 +1,166 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1002/kin.20180 + authors: + - name: Gaurav Mittal + - name: Chih-Jen Sung + - name: Richard A. Yetter + journal: International Journal of Chemical Kinetics + year: 2006 + volume: 38 + pages: 516-529 + detail: Fig. 6, open circle [Converted from ReSpecTh XML file x40001002_5.xml] +experiment-type: ignition delay +apparatus: + kind: rapid compression machine + institution: Case Western Reserve University + facility: CWR RCM +datapoints: + - temperature: + - 296.9 K + ignition-delay: + - 12.9 ms + pressure: + - 1217 torr + equivalence-ratio: 1.0 + rcm-data: + compressed-pressure: + - 50 bar + composition: + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1250 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0625 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.18125 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.63125 + ignition-type: + target: pressure + type: d/dt max + time-histories: + - type: volume + time: + units: ms + column: 0 + quantity: + units: cm3 + column: 1 + values: + - [0.000e+00 , 5.576e+02] + - [1.000e-03 , 5.566e+02] + - [2.000e-03 , 5.534e+02] + - [3.000e-03 , 5.481e+02] + - [4.000e-03 , 5.407e+02] + - [5.000e-03 , 5.311e+02] + - [6.000e-03 , 5.194e+02] + - [7.000e-03 , 5.057e+02] + - [8.000e-03 , 4.897e+02] + - [9.000e-03 , 4.717e+02] + - [1.000e-02 , 4.516e+02] + - [1.100e-02 , 4.303e+02] + - [1.200e-02 , 4.091e+02] + - [1.300e-02 , 3.879e+02] + - [1.400e-02 , 3.667e+02] + - [1.500e-02 , 3.455e+02] + - [1.600e-02 , 3.243e+02] + - [1.700e-02 , 3.031e+02] + - [1.800e-02 , 2.819e+02] + - [1.900e-02 , 2.607e+02] + - [2.000e-02 , 2.394e+02] + - [2.100e-02 , 2.182e+02] + - [2.200e-02 , 1.970e+02] + - [2.300e-02 , 1.758e+02] + - [2.400e-02 , 1.546e+02] + - [2.500e-02 , 1.334e+02] + - [2.600e-02 , 1.122e+02] + - [2.700e-02 , 9.096e+01] + - [2.800e-02 , 7.329e+01] + - [2.900e-02 , 6.268e+01] + - [3.000e-02 , 5.914e+01] + - [3.100e-02 , 5.962e+01] + - [3.200e-02 , 6.003e+01] + - [3.300e-02 , 6.039e+01] + - [3.400e-02 , 6.072e+01] + - [3.500e-02 , 6.102e+01] + - [3.600e-02 , 6.129e+01] + - [3.700e-02 , 6.155e+01] + - [3.800e-02 , 6.179e+01] + - [3.900e-02 , 6.203e+01] + - [4.000e-02 , 6.225e+01] + - [4.100e-02 , 6.247e+01] + - [4.200e-02 , 6.268e+01] + - [4.300e-02 , 6.288e+01] + - [4.400e-02 , 6.308e+01] + - [4.500e-02 , 6.327e+01] + - [4.600e-02 , 6.345e+01] + - [4.700e-02 , 6.364e+01] + - [4.800e-02 , 6.381e+01] + - [4.900e-02 , 6.398e+01] + - [5.000e-02 , 6.415e+01] + - [5.100e-02 , 6.431e+01] + - [5.200e-02 , 6.446e+01] + - [5.300e-02 , 6.461e+01] + - [5.400e-02 , 6.476e+01] + - [5.500e-02 , 6.490e+01] + - [5.600e-02 , 6.504e+01] + - [5.700e-02 , 6.517e+01] + - [5.800e-02 , 6.529e+01] + - [5.900e-02 , 6.542e+01] + - [6.000e-02 , 6.554e+01] + - [6.100e-02 , 6.565e+01] + - [6.200e-02 , 6.577e+01] + - [6.300e-02 , 6.588e+01] + - [6.400e-02 , 6.599e+01] + - [6.500e-02 , 6.609e+01] + - [6.600e-02 , 6.620e+01] + - [6.700e-02 , 6.630e+01] + - [6.800e-02 , 6.640e+01] + - [6.900e-02 , 6.650e+01] + - [7.000e-02 , 6.660e+01] + - [7.100e-02 , 6.669e+01] + - [7.200e-02 , 6.679e+01] + - [7.300e-02 , 6.688e+01] + - [7.400e-02 , 6.697e+01] + - [7.500e-02 , 6.706e+01] + - [7.600e-02 , 6.715e+01] + - [7.700e-02 , 6.724e+01] + - [7.800e-02 , 6.733e+01] + - [7.900e-02 , 6.741e+01] + - [8.000e-02 , 6.750e+01] + - [8.100e-02 , 6.758e+01] + - [8.200e-02 , 6.766e+01] + - [8.300e-02 , 6.774e+01] + - [8.400e-02 , 6.782e+01] + - [8.500e-02 , 6.789e+01] + - [8.600e-02 , 6.797e+01] + - [8.700e-02 , 6.804e+01] + - [8.800e-02 , 6.811e+01] + - [8.900e-02 , 6.819e+01] + - [9.000e-02 , 6.826e+01] + - [9.100e-02 , 6.832e+01] + - [9.200e-02 , 6.839e+01] + - [9.300e-02 , 6.846e+01] + - [9.400e-02 , 6.853e+01] + - [9.500e-02 , 6.859e+01] + - [9.600e-02 , 6.866e+01] + - [9.700e-02 , 6.873e+01] + - [9.800e-02 , 6.879e+01] + - [9.900e-02 , 6.886e+01] + - [1.000e-01 , 6.892e+01] + diff --git a/Hydrogen/Naumann_2011_ST_phi_0.1_d11.yaml b/Hydrogen/Naumann_2011_ST_phi_0.1_d11.yaml new file mode 100644 index 0000000..2d85188 --- /dev/null +++ b/Hydrogen/Naumann_2011_ST_phi_0.1_d11.yaml @@ -0,0 +1,393 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + authors: + - name: C. Naumann + - name: H. Curran + - name: I. Montzaras + - name: J. Herzler + - name: A. Keromnes + - name: P. Griebel + year: 2011 + detail: '"Results of ignition delay times for hydrogen-rich and syngas fuel mixtures measured", H2-IGCC project, Deliverable 1.1.3,Table 3.1' +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: DLR Stuttgart, GErmany + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.0403 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.2016 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.7581 + ignition-type: &ign + target: OH* + type: max +datapoints: + - temperature: + - 956.0 K + ignition-delay: + - 4541.0 us + pressure: + - 18.65 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 962.0 K + ignition-delay: + - 5120.0 us + pressure: + - 18.74 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 975.0 K + ignition-delay: + - 4002.0 us + pressure: + - 18.13 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1010.0 K + ignition-delay: + - 2999.0 us + pressure: + - 18.11 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1034.0 K + ignition-delay: + - 2667.0 us + pressure: + - 17.86 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1054.0 K + ignition-delay: + - 2033.0 us + pressure: + - 17.77 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1083.0 K + ignition-delay: + - 1272.0 us + pressure: + - 17.92 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1114.0 K + ignition-delay: + - 627.0 us + pressure: + - 17.54 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1142.0 K + ignition-delay: + - 342.0 us + pressure: + - 17.75 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1165.0 K + ignition-delay: + - 112.0 us + pressure: + - 18.08 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1178.0 K + ignition-delay: + - 36.0 us + pressure: + - 17.6 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 932.0 K + ignition-delay: + - 6040.0 us + pressure: + - 4.12 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 949.0 K + ignition-delay: + - 4244.0 us + pressure: + - 4.14 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 978.0 K + ignition-delay: + - 3007.0 us + pressure: + - 4.54 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 987.0 K + ignition-delay: + - 2341.0 us + pressure: + - 4.23 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1005.0 K + ignition-delay: + - 1179.0 us + pressure: + - 4.2 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1021.0 K + ignition-delay: + - 427.0 us + pressure: + - 4.17 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1065.0 K + ignition-delay: + - 91.0 us + pressure: + - 4.31 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1106.0 K + ignition-delay: + - 41.0 us + pressure: + - 4.18 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1131.0 K + ignition-delay: + - 32.0 us + pressure: + - 4.12 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 889.0 K + ignition-delay: + - 3468.0 us + pressure: + - 1.03 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 894.0 K + ignition-delay: + - 4709.0 us + pressure: + - 1.07 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 895.0 K + ignition-delay: + - 3989.0 us + pressure: + - 1.03 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 897.0 K + ignition-delay: + - 3999.0 us + pressure: + - 1.07 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 911.0 K + ignition-delay: + - 1107.0 us + pressure: + - 1.06 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 926.0 K + ignition-delay: + - 731.0 us + pressure: + - 1.09 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 927.0 K + ignition-delay: + - 739.0 us + pressure: + - 1.06 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 975.0 K + ignition-delay: + - 329.0 us + pressure: + - 1.12 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1012.0 K + ignition-delay: + - 253.0 us + pressure: + - 1.03 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1061.0 K + ignition-delay: + - 157.0 us + pressure: + - 0.99 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1128.0 K + ignition-delay: + - 96.0 us + pressure: + - 1.22 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1154.0 K + ignition-delay: + - 136.0 us + pressure: + - 0.69 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1165.0 K + ignition-delay: + - 84.0 us + pressure: + - 1.12 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1278.0 K + ignition-delay: + - 60.0 us + pressure: + - 0.98 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1306.0 K + ignition-delay: + - 58.0 us + pressure: + - 0.91 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1308.0 K + ignition-delay: + - 60.0 us + pressure: + - 0.9 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1498.0 K + ignition-delay: + - 34.0 us + pressure: + - 0.88 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1665.0 K + ignition-delay: + - 20.0 us + pressure: + - 1.05 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1675.0 K + ignition-delay: + - 18.0 us + pressure: + - 1.05 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + \ No newline at end of file diff --git a/Hydrogen/Naumann_2011_ST_phi_0.1_d15.yaml b/Hydrogen/Naumann_2011_ST_phi_0.1_d15.yaml new file mode 100644 index 0000000..8d07a45 --- /dev/null +++ b/Hydrogen/Naumann_2011_ST_phi_0.1_d15.yaml @@ -0,0 +1,501 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + authors: + - name: C. Naumann + - name: H. Curran + - name: I. Montzaras + - name: J. Herzler + - name: A. Keromnes + - name: P. Griebel + year: 2011 + detail: '"Results of ignition delay times for hydrogen-rich and syngas fuel mixtures measured", H2-IGCC project, Deliverable 1.1.3, Table 3.1' +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: DLR Stuttgart, GErmany + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.0081 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0403 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.9516 + ignition-type: &ign + target: OH* + type: max +datapoints: + - temperature: + - 1037.0 K + ignition-delay: + - 5471.0 us + pressure: + - 16.1 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1041.0 K + ignition-delay: + - 5361.0 us + pressure: + - 16.2 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1077.0 K + ignition-delay: + - 3079.0 us + pressure: + - 16.8 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1087.0 K + ignition-delay: + - 2435.0 us + pressure: + - 16.1 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1109.0 K + ignition-delay: + - 1561.0 us + pressure: + - 17.1 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1111.0 K + ignition-delay: + - 1363.0 us + pressure: + - 16.35 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1136.0 K + ignition-delay: + - 581.0 us + pressure: + - 16.1 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1141.0 K + ignition-delay: + - 967.0 us + pressure: + - 16.3 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1142.0 K + ignition-delay: + - 427.0 us + pressure: + - 15.98 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1170.0 K + ignition-delay: + - 156.0 us + pressure: + - 16.3 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1180.0 K + ignition-delay: + - 95.0 us + pressure: + - 17.8 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1183.0 K + ignition-delay: + - 107.0 us + pressure: + - 17.02 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1255.0 K + ignition-delay: + - 31.0 us + pressure: + - 16.7 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 935.0 K + ignition-delay: + - 5945.0 us + pressure: + - 3.9 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 958.0 K + ignition-delay: + - 4575.0 us + pressure: + - 3.96 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 963.0 K + ignition-delay: + - 4119.0 us + pressure: + - 3.9 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 974.0 K + ignition-delay: + - 3814.0 us + pressure: + - 3.9 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 986.0 K + ignition-delay: + - 2751.0 us + pressure: + - 3.9 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1005.0 K + ignition-delay: + - 1914.0 us + pressure: + - 3.87 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1012.0 K + ignition-delay: + - 1312.0 us + pressure: + - 3.6 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1026.0 K + ignition-delay: + - 784.0 us + pressure: + - 3.6 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1044.0 K + ignition-delay: + - 567.0 us + pressure: + - 3.7 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1069.0 K + ignition-delay: + - 368.0 us + pressure: + - 3.7 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1075.0 K + ignition-delay: + - 225.0 us + pressure: + - 3.5 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1080.0 K + ignition-delay: + - 292.0 us + pressure: + - 3.7 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1125.0 K + ignition-delay: + - 163.0 us + pressure: + - 3.7 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1143.0 K + ignition-delay: + - 146.0 us + pressure: + - 3.6 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1173.0 K + ignition-delay: + - 119.0 us + pressure: + - 3.6 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1183.0 K + ignition-delay: + - 112.0 us + pressure: + - 3.4 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1225.0 K + ignition-delay: + - 82.0 us + pressure: + - 3.5 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1276.0 K + ignition-delay: + - 57.0 us + pressure: + - 3.74 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1360.0 K + ignition-delay: + - 35.0 us + pressure: + - 4.2 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 939.0 K + ignition-delay: + - 5051.0 us + pressure: + - 1.01 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 967.0 K + ignition-delay: + - 2547.0 us + pressure: + - 0.99 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1022.0 K + ignition-delay: + - 1193.0 us + pressure: + - 0.94 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1026.0 K + ignition-delay: + - 1202.0 us + pressure: + - 1.01 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1088.0 K + ignition-delay: + - 637.0 us + pressure: + - 0.94 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1128.0 K + ignition-delay: + - 553.0 us + pressure: + - 0.91 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1163.0 K + ignition-delay: + - 469.0 us + pressure: + - 0.86 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1267.0 K + ignition-delay: + - 279.0 us + pressure: + - 0.82 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1371.0 K + ignition-delay: + - 157.0 us + pressure: + - 0.93 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1445.0 K + ignition-delay: + - 125.0 us + pressure: + - 0.92 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1498.0 K + ignition-delay: + - 105.0 us + pressure: + - 0.86 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1566.0 K + ignition-delay: + - 113.0 us + pressure: + - 0.74 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1670.0 K + ignition-delay: + - 65.0 us + pressure: + - 0.91 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1688.0 K + ignition-delay: + - 80.0 us + pressure: + - 0.8 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1747.0 K + ignition-delay: + - 66.0 us + pressure: + - 0.85 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1804.0 K + ignition-delay: + - 52.0 us + pressure: + - 0.96 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 1998.0 K + ignition-delay: + - 28.0 us + pressure: + - 1.34 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 2087.0 K + ignition-delay: + - 29.0 us + pressure: + - 1.11 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + - temperature: + - 2109.0 K + ignition-delay: + - 24.0 us + pressure: + - 1.14 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.1 + \ No newline at end of file diff --git a/Hydrogen/Naumann_2011_ST_phi_0.5.yaml b/Hydrogen/Naumann_2011_ST_phi_0.5.yaml new file mode 100644 index 0000000..e766374 --- /dev/null +++ b/Hydrogen/Naumann_2011_ST_phi_0.5.yaml @@ -0,0 +1,312 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + authors: + - name: C. Naumann + - name: H. Curran + - name: I. Montzaras + - name: J. Herzler + - name: A. Keromnes + - name: P. Griebel + year: 2011 + detail: '"Results of ignition delay times for hydrogen-rich and syngas fuel mixtures measured", H2-IGCC project, Deliverable 1.1.3, Table 3.1' +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: DLR Stuttgart, GErmany + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.0347 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0347 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.9306 + ignition-type: &ign + target: OH* + type: max +datapoints: + - temperature: + - 1018.0 K + ignition-delay: + - 4250.0 us + pressure: + - 15.43 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1021.0 K + ignition-delay: + - 4010.0 us + pressure: + - 15.97 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1035.0 K + ignition-delay: + - 3340.0 us + pressure: + - 16.21 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1050.0 K + ignition-delay: + - 2680.0 us + pressure: + - 16.1 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1068.0 K + ignition-delay: + - 1730.0 us + pressure: + - 16.09 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1078.0 K + ignition-delay: + - 1360.0 us + pressure: + - 15.13 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1087.0 K + ignition-delay: + - 1250.0 us + pressure: + - 15.73 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1106.0 K + ignition-delay: + - 678.0 us + pressure: + - 16.37 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1109.0 K + ignition-delay: + - 707.0 us + pressure: + - 15.99 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1116.0 K + ignition-delay: + - 538.0 us + pressure: + - 16.15 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1120.0 K + ignition-delay: + - 460.0 us + pressure: + - 16.05 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1121.0 K + ignition-delay: + - 398.0 us + pressure: + - 15.14 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 958.0 K + ignition-delay: + - 4290.0 us + pressure: + - 3.93 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 972.0 K + ignition-delay: + - 3410.0 us + pressure: + - 3.95 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 992.0 K + ignition-delay: + - 2060.0 us + pressure: + - 4.04 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 998.0 K + ignition-delay: + - 1320.0 us + pressure: + - 4.0 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 999.0 K + ignition-delay: + - 1530.0 us + pressure: + - 4.07 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1010.0 K + ignition-delay: + - 779.0 us + pressure: + - 4.09 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1021.0 K + ignition-delay: + - 539.0 us + pressure: + - 4.04 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1035.0 K + ignition-delay: + - 373.0 us + pressure: + - 3.78 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 923.0 K + ignition-delay: + - 3810.0 us + pressure: + - 0.91 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 927.0 K + ignition-delay: + - 3150.0 us + pressure: + - 0.97 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 934.0 K + ignition-delay: + - 3440.0 us + pressure: + - 0.96 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 937.0 K + ignition-delay: + - 2830.0 us + pressure: + - 0.9 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 939.0 K + ignition-delay: + - 2260.0 us + pressure: + - 0.92 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 941.0 K + ignition-delay: + - 2080.0 us + pressure: + - 0.97 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 957.0 K + ignition-delay: + - 1680.0 us + pressure: + - 0.91 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 982.0 K + ignition-delay: + - 1190.0 us + pressure: + - 0.9 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 995.0 K + ignition-delay: + - 1030.0 us + pressure: + - 0.9 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1027.0 K + ignition-delay: + - 764.0 us + pressure: + - 0.92 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + diff --git a/Hydrogen/Naumann_2011_ST_phi_0.5_N2.yaml b/Hydrogen/Naumann_2011_ST_phi_0.5_N2.yaml new file mode 100644 index 0000000..0699f18 --- /dev/null +++ b/Hydrogen/Naumann_2011_ST_phi_0.5_N2.yaml @@ -0,0 +1,348 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + authors: + - name: C. Naumann + - name: H. Curran + - name: I. Montzaras + - name: J. Herzler + - name: A. Keromnes + - name: P. Griebel + year: 2011 + detail: '"Results of ignition delay times for hydrogen-rich and syngas fuel mixtures measured", H2-IGCC project, Deliverable 1.1.3, Table 3.1' +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: DLR Stuttgart, GErmany + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.0347 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0347 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.9306 + ignition-type: &ign + target: OH* + type: max +datapoints: + - temperature: + - 1060.0 K + ignition-delay: + - 3342.0 us + pressure: + - 15.68 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1086.0 K + ignition-delay: + - 2312.0 us + pressure: + - 15.64 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1120.0 K + ignition-delay: + - 1349.0 us + pressure: + - 15.1 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1140.0 K + ignition-delay: + - 960.0 us + pressure: + - 15.77 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1165.0 K + ignition-delay: + - 484.0 us + pressure: + - 15.94 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1199.0 K + ignition-delay: + - 234.0 us + pressure: + - 16.26 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1212.0 K + ignition-delay: + - 135.0 us + pressure: + - 15.27 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1223.0 K + ignition-delay: + - 89.0 us + pressure: + - 16.18 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1242.0 K + ignition-delay: + - 33.0 us + pressure: + - 15.72 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1243.0 K + ignition-delay: + - 46.0 us + pressure: + - 16.18 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1006.0 K + ignition-delay: + - 4713.0 us + pressure: + - 3.93 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1019.0 K + ignition-delay: + - 3078.0 us + pressure: + - 4.18 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1025.0 K + ignition-delay: + - 2537.0 us + pressure: + - 4.11 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1029.0 K + ignition-delay: + - 2360.0 us + pressure: + - 4.12 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1037.0 K + ignition-delay: + - 2347.0 us + pressure: + - 4.14 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1051.0 K + ignition-delay: + - 1607.0 us + pressure: + - 4.19 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1060.0 K + ignition-delay: + - 1166.0 us + pressure: + - 4.15 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1069.0 K + ignition-delay: + - 555.0 us + pressure: + - 4.14 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1081.0 K + ignition-delay: + - 329.0 us + pressure: + - 3.91 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1116.0 K + ignition-delay: + - 189.0 us + pressure: + - 4.54 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1173.0 K + ignition-delay: + - 85.0 us + pressure: + - 4.35 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1216.0 K + ignition-delay: + - 62.0 us + pressure: + - 4.09 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1257.0 K + ignition-delay: + - 49.0 us + pressure: + - 3.94 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 932.0 K + ignition-delay: + - 5933.0 us + pressure: + - 0.94 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 958.0 K + ignition-delay: + - 4188.0 us + pressure: + - 0.99 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 968.0 K + ignition-delay: + - 2987.0 us + pressure: + - 1.02 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 974.0 K + ignition-delay: + - 1657.0 us + pressure: + - 1.01 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 992.0 K + ignition-delay: + - 1120.0 us + pressure: + - 1.02 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1022.0 K + ignition-delay: + - 824.0 us + pressure: + - 1.05 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1047.0 K + ignition-delay: + - 655.0 us + pressure: + - 1.01 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1170.0 K + ignition-delay: + - 286.0 us + pressure: + - 0.99 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1353.0 K + ignition-delay: + - 127.0 us + pressure: + - 0.99 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1635.0 K + ignition-delay: + - 59.0 us + pressure: + - 0.97 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1954.0 K + ignition-delay: + - 41.0 us + pressure: + - 1.0 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + diff --git a/Hydrogen/Naumann_2011_ST_phi_1.yaml b/Hydrogen/Naumann_2011_ST_phi_1.yaml new file mode 100644 index 0000000..538b4bc --- /dev/null +++ b/Hydrogen/Naumann_2011_ST_phi_1.yaml @@ -0,0 +1,357 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + authors: + - name: C. Naumann + - name: H. Curran + - name: I. Montzaras + - name: J. Herzler + - name: A. Keromnes + - name: P. Griebel + year: 2011 + detail: '"Results of ignition delay times for hydrogen-rich and syngas fuel mixtures measured", H2-IGCC project, Deliverable 1.1.3, Table 3.1' +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: DLR Stuttgart, GErmany + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.0592 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0296 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.9112 + ignition-type: &ign + target: OH* + type: max +datapoints: + - temperature: + - 1015.0 K + ignition-delay: + - 3680.0 us + pressure: + - 13.38 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1036.0 K + ignition-delay: + - 2860.0 us + pressure: + - 12.97 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1060.0 K + ignition-delay: + - 1610.0 us + pressure: + - 14.08 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1094.0 K + ignition-delay: + - 617.0 us + pressure: + - 13.24 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1098.0 K + ignition-delay: + - 654.0 us + pressure: + - 13.36 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1160.0 K + ignition-delay: + - 93.0 us + pressure: + - 14.57 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1194.0 K + ignition-delay: + - 31.0 us + pressure: + - 16.67 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 962.0 K + ignition-delay: + - 3660.0 us + pressure: + - 3.45 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 964.0 K + ignition-delay: + - 4290.0 us + pressure: + - 3.61 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 972.0 K + ignition-delay: + - 3380.0 us + pressure: + - 3.38 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 995.0 K + ignition-delay: + - 1910.0 us + pressure: + - 3.46 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1002.0 K + ignition-delay: + - 1640.0 us + pressure: + - 3.5 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1014.0 K + ignition-delay: + - 762.0 us + pressure: + - 3.47 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1017.0 K + ignition-delay: + - 714.0 us + pressure: + - 3.48 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1021.0 K + ignition-delay: + - 596.0 us + pressure: + - 3.5 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1047.0 K + ignition-delay: + - 300.0 us + pressure: + - 3.54 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1051.0 K + ignition-delay: + - 255.0 us + pressure: + - 3.52 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1065.0 K + ignition-delay: + - 189.0 us + pressure: + - 3.49 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1116.0 K + ignition-delay: + - 122.0 us + pressure: + - 3.58 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1160.0 K + ignition-delay: + - 82.0 us + pressure: + - 3.65 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 918.0 K + ignition-delay: + - 3620.0 us + pressure: + - 0.9 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 937.0 K + ignition-delay: + - 2500.0 us + pressure: + - 0.9 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 956.0 K + ignition-delay: + - 1390.0 us + pressure: + - 0.83 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 961.0 K + ignition-delay: + - 1480.0 us + pressure: + - 0.89 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1014.0 K + ignition-delay: + - 775.0 us + pressure: + - 0.91 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1061.0 K + ignition-delay: + - 545.0 us + pressure: + - 0.89 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1119.0 K + ignition-delay: + - 367.0 us + pressure: + - 0.87 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1153.0 K + ignition-delay: + - 316.0 us + pressure: + - 0.87 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1192.0 K + ignition-delay: + - 252.0 us + pressure: + - 0.93 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1256.0 K + ignition-delay: + - 192.0 us + pressure: + - 0.88 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1382.0 K + ignition-delay: + - 114.0 us + pressure: + - 0.88 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1437.0 K + ignition-delay: + - 105.0 us + pressure: + - 0.85 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1456.0 K + ignition-delay: + - 109.0 us + pressure: + - 0.77 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1709.0 K + ignition-delay: + - 53.0 us + pressure: + - 0.99 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1718.0 K + ignition-delay: + - 48.0 us + pressure: + - 1.0 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + diff --git a/Hydrogen/Naumann_2011_ST_phi_4.yaml b/Hydrogen/Naumann_2011_ST_phi_4.yaml new file mode 100644 index 0000000..4caa07c --- /dev/null +++ b/Hydrogen/Naumann_2011_ST_phi_4.yaml @@ -0,0 +1,600 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + authors: + - name: C. Naumann + - name: H. Curran + - name: I. Montzaras + - name: J. Herzler + - name: A. Keromnes + - name: P. Griebel + year: 2011 + detail: '"Results of ignition delay times for hydrogen-rich and syngas fuel mixtures measured", H2-IGCC project, Deliverable 1.1.3, Table 3.1' +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: DLR Stuttgart, GErmany + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1254 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0157 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.8589 + ignition-type: &ign + target: OH* + type: max +datapoints: + - temperature: + - 947.0 K + ignition-delay: + - 6680.0 us + pressure: + - 15.1 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 964.0 K + ignition-delay: + - 5490.0 us + pressure: + - 15.2 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 987.0 K + ignition-delay: + - 4770.0 us + pressure: + - 15.2 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1006.0 K + ignition-delay: + - 3000.0 us + pressure: + - 15.0 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1028.0 K + ignition-delay: + - 2300.0 us + pressure: + - 16.3 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1052.0 K + ignition-delay: + - 1540.0 us + pressure: + - 15.6 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1064.0 K + ignition-delay: + - 1170.0 us + pressure: + - 16.6 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1083.0 K + ignition-delay: + - 762.0 us + pressure: + - 14.2 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1094.0 K + ignition-delay: + - 695.0 us + pressure: + - 14.5 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1100.0 K + ignition-delay: + - 534.0 us + pressure: + - 15.5 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1149.0 K + ignition-delay: + - 200.0 us + pressure: + - 14.9 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1173.0 K + ignition-delay: + - 84.0 us + pressure: + - 14.3 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1177.0 K + ignition-delay: + - 80.0 us + pressure: + - 14.2 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1204.0 K + ignition-delay: + - 46.0 us + pressure: + - 14.7 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1208.0 K + ignition-delay: + - 38.0 us + pressure: + - 14.8 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1227.0 K + ignition-delay: + - 24.0 us + pressure: + - 14.9 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 967.0 K + ignition-delay: + - 4554.0 us + pressure: + - 4.01 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 977.0 K + ignition-delay: + - 3451.0 us + pressure: + - 3.97 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 990.0 K + ignition-delay: + - 2309.0 us + pressure: + - 3.94 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 993.0 K + ignition-delay: + - 2295.0 us + pressure: + - 3.99 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 997.0 K + ignition-delay: + - 2141.0 us + pressure: + - 4.05 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1002.0 K + ignition-delay: + - 246.0 us + pressure: + - 3.8 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1012.0 K + ignition-delay: + - 1066.0 us + pressure: + - 4.08 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1015.0 K + ignition-delay: + - 1047.0 us + pressure: + - 4.14 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1017.0 K + ignition-delay: + - 928.0 us + pressure: + - 4.19 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1039.0 K + ignition-delay: + - 524.0 us + pressure: + - 4.14 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1061.0 K + ignition-delay: + - 401.0 us + pressure: + - 4.06 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1074.0 K + ignition-delay: + - 346.0 us + pressure: + - 3.7 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1107.0 K + ignition-delay: + - 286.0 us + pressure: + - 3.9 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1123.0 K + ignition-delay: + - 200.0 us + pressure: + - 3.92 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1171.0 K + ignition-delay: + - 143.0 us + pressure: + - 4.11 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1178.0 K + ignition-delay: + - 134.0 us + pressure: + - 3.97 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1210.0 K + ignition-delay: + - 117.0 us + pressure: + - 3.8 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1260.0 K + ignition-delay: + - 79.0 us + pressure: + - 4.1 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1327.0 K + ignition-delay: + - 52.0 us + pressure: + - 4.5 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1463.0 K + ignition-delay: + - 34.0 us + pressure: + - 4.3 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 943.0 K + ignition-delay: + - 3093.0 us + pressure: + - 1.08 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 944.0 K + ignition-delay: + - 2975.0 us + pressure: + - 1.11 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 953.0 K + ignition-delay: + - 1689.0 us + pressure: + - 0.93 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 956.0 K + ignition-delay: + - 2106.0 us + pressure: + - 1.06 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 972.0 K + ignition-delay: + - 1744.0 us + pressure: + - 0.92 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 975.0 K + ignition-delay: + - 1725.0 us + pressure: + - 1.11 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 976.0 K + ignition-delay: + - 2077.0 us + pressure: + - 1.12 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 983.0 K + ignition-delay: + - 1570.0 us + pressure: + - 1.04 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1008.0 K + ignition-delay: + - 1257.0 us + pressure: + - 1.04 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1043.0 K + ignition-delay: + - 983.0 us + pressure: + - 1.06 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1056.0 K + ignition-delay: + - 801.0 us + pressure: + - 1.02 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1068.0 K + ignition-delay: + - 765.0 us + pressure: + - 1.06 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1074.0 K + ignition-delay: + - 1039.0 us + pressure: + - 1.06 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1091.0 K + ignition-delay: + - 745.0 us + pressure: + - 1.02 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1118.0 K + ignition-delay: + - 527.0 us + pressure: + - 1.01 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1131.0 K + ignition-delay: + - 630.0 us + pressure: + - 0.97 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1191.0 K + ignition-delay: + - 429.0 us + pressure: + - 0.99 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1199.0 K + ignition-delay: + - 414.0 us + pressure: + - 0.94 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1288.0 K + ignition-delay: + - 293.0 us + pressure: + - 0.92 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1308.0 K + ignition-delay: + - 190.0 us + pressure: + - 1.19 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1324.0 K + ignition-delay: + - 192.0 us + pressure: + - 1.2 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1387.0 K + ignition-delay: + - 168.0 us + pressure: + - 1.19 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1588.0 K + ignition-delay: + - 108.0 us + pressure: + - 0.99 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1611.0 K + ignition-delay: + - 82.0 us + pressure: + - 1.3 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 1698.0 K + ignition-delay: + - 79.0 us + pressure: + - 1.2 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + - temperature: + - 2136.0 K + ignition-delay: + - 36.0 us + pressure: + - 1.37 bar + composition: *comp + ignition-type: *ign + equivalence-ratio: 4.0 + diff --git a/Hydrogen/Ninnemann_2018_ST_C0_phi_0.42.yaml b/Hydrogen/Ninnemann_2018_ST_C0_phi_0.42.yaml new file mode 100644 index 0000000..f3c5d32 --- /dev/null +++ b/Hydrogen/Ninnemann_2018_ST_C0_phi_0.42.yaml @@ -0,0 +1,165 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2017.08.021 + authors: + - name: Erik Ninnemann + - name: Batikan Koroglu + - name: Owen Pryor + - name: Samuel Barak + - name: Leigh Nash + - name: Zachary Loparo + - name: Jonathan Sosa + - name: Kareem Ahmed + - name: Subith Vasu + ORCID: 0000-0002-4164-3163 + journal: Combustion and Flame + year: 2018 + volume: 187 + pages: 11-21 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Dept. of Mechanical and Aerospace Engineering, CATER, University of Central Florida + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.15 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.67 + ignition-type: &ign + target: OH* + type: 1/2 max +datapoints: + - temperature: + - 935.0 K + - uncertainty-type: relative + uncertainty: 0.015 + ignition-delay: + - 4045.0 us + pressure: + - 3.87 atm + - uncertainty-type: relative + uncertainty: 0.015 + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.42 + - temperature: + - 958.0 K + - uncertainty-type: relative + uncertainty: 0.015 + ignition-delay: + - 2647.0 us + pressure: + - 3.44 atm + - uncertainty-type: relative + uncertainty: 0.015 + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.42 + - temperature: + - 858.0 K + - uncertainty-type: relative + uncertainty: 0.015 + ignition-delay: + - 5902.0 us + pressure: + - 2.79 atm + - uncertainty-type: relative + uncertainty: 0.015 + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.42 + - temperature: + - 1035.0 K + - uncertainty-type: relative + uncertainty: 0.015 + ignition-delay: + - 93.0 us + pressure: + - 3.22 atm + - uncertainty-type: relative + uncertainty: 0.015 + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.42 + - temperature: + - 901.0 K + - uncertainty-type: relative + uncertainty: 0.015 + ignition-delay: + - 4610.0 us + pressure: + - 3.79 atm + - uncertainty-type: relative + uncertainty: 0.015 + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.42 + - temperature: + - 889.0 K + - uncertainty-type: relative + uncertainty: 0.015 + ignition-delay: + - 5433.0 us + pressure: + - 3.91 atm + - uncertainty-type: relative + uncertainty: 0.015 + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.42 + - temperature: + - 905.0 K + - uncertainty-type: relative + uncertainty: 0.015 + ignition-delay: + - 3207.0 us + pressure: + - 3.08 atm + - uncertainty-type: relative + uncertainty: 0.015 + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.42 + - temperature: + - 964.0 K + - uncertainty-type: relative + uncertainty: 0.015 + ignition-delay: + - 1952.0 us + pressure: + - 2.82 atm + - uncertainty-type: relative + uncertainty: 0.015 + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.42 + - temperature: + - 1026.0 K + - uncertainty-type: relative + uncertainty: 0.015 + ignition-delay: + - 109.0 us + pressure: + - 2.74 atm + - uncertainty-type: relative + uncertainty: 0.015 + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.42 diff --git a/Hydrogen/Ninnemann_2018_ST_C0_phi_1.0.yaml b/Hydrogen/Ninnemann_2018_ST_C0_phi_1.0.yaml new file mode 100644 index 0000000..4da5d8b --- /dev/null +++ b/Hydrogen/Ninnemann_2018_ST_C0_phi_1.0.yaml @@ -0,0 +1,179 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2017.08.021 + authors: + - name: Erik Ninnemann + - name: Batikan Koroglu + - name: Owen Pryor + - name: Samuel Barak + - name: Leigh Nash + - name: Zachary Loparo + - name: Jonathan Sosa + - name: Kareem Ahmed + - name: Subith Vasu + ORCID: 0000-0002-4164-3163 + journal: Combustion and Flame + year: 2018 + volume: 187 + pages: 11-21 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Dept. of Mechanical and Aerospace Engineering, CATER, University of Central Florida + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.04 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.02 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.94 + ignition-type: &ign + target: pressure + type: 1/2 max +datapoints: + - temperature: + - 1031.0 K + - uncertainty-type: relative + uncertainty: 0.015 + ignition-delay: + - 426.0 us + pressure: + - 3.99 atm + - uncertainty-type: relative + uncertainty: 0.015 + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1077.0 K + - uncertainty-type: relative + uncertainty: 0.015 + ignition-delay: + - 217.0 us + pressure: + - 3.97 atm + - uncertainty-type: relative + uncertainty: 0.015 + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 974.0 K + - uncertainty-type: relative + uncertainty: 0.015 + ignition-delay: + - 4308.0 us + pressure: + - 4.27 atm + - uncertainty-type: relative + uncertainty: 0.015 + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 960.0 K + - uncertainty-type: relative + uncertainty: 0.015 + ignition-delay: + - 6223.0 us + pressure: + - 4.33 atm + - uncertainty-type: relative + uncertainty: 0.015 + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1131.0 K + - uncertainty-type: relative + uncertainty: 0.015 + ignition-delay: + - 87.0 us + pressure: + - 4.68 atm + - uncertainty-type: relative + uncertainty: 0.015 + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 983.0 K + - uncertainty-type: relative + uncertainty: 0.015 + ignition-delay: + - 1693.0 us + pressure: + - 3.18 atm + - uncertainty-type: relative + uncertainty: 0.015 + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1040.0 K + - uncertainty-type: relative + uncertainty: 0.015 + ignition-delay: + - 426.0 us + pressure: + - 3.09 atm + - uncertainty-type: relative + uncertainty: 0.015 + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1119.0 K + - uncertainty-type: relative + uncertainty: 0.015 + ignition-delay: + - 110.0 us + pressure: + - 5.41 atm + - uncertainty-type: relative + uncertainty: 0.015 + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1095.0 K + - uncertainty-type: relative + uncertainty: 0.015 + ignition-delay: + - 160.0 us + pressure: + - 5.44 atm + - uncertainty-type: relative + uncertainty: 0.015 + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1082.0 K + - uncertainty-type: relative + uncertainty: 0.015 + ignition-delay: + - 183.0 us + pressure: + - 5.11 atm + - uncertainty-type: relative + uncertainty: 0.015 + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + diff --git a/Hydrogen/Pan_2014_ST_C0_phi_0.5.yaml b/Hydrogen/Pan_2014_ST_C0_phi_0.5.yaml new file mode 100644 index 0000000..c877be3 --- /dev/null +++ b/Hydrogen/Pan_2014_ST_C0_phi_0.5.yaml @@ -0,0 +1,287 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.10.015 + authors: + - name: Lun Pan + - name: Erjiang Hu + ORCID: 0000-0002-0762-9018 + - name: Jiaxiang Zhang + - name: Zihang Zhang + - name: Zuohua Huang + journal: Combustion and Flame + year: 2014 + volume: 161 + pages: 735-747 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: State Key Laboratory of Multiphase Flows in Power Engineering, Xi'an Jiatong University, Xi'an 710049, PR China + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.03472 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.03472 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.93056 + pressure-rise: &pres-rise + - 0.04 1/ms + ignition-type: &ign + target: OH* + type: d/dt max extrapolated +datapoints: + - temperature: + - 1313.422 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 90.3 us + pressure: + - 1.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1212.871 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 171.0 us + pressure: + - 1.27 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1199.904 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 184.0 us + pressure: + - 1.23 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1174.384 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 250.0 us + pressure: + - 1.24 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1103.107 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 383.7 us + pressure: + - 1.21 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1072.053 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 417.8 us + pressure: + - 1.19 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 988.1423 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 743.5 us + pressure: + - 1.22 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 937.2071 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 1290.7 us + pressure: + - 1.22 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 911.4607 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 2004.2 us + pressure: + - 1.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1212.636 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 26.2 us + pressure: + - 10.32 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1166.235 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 44.4 us + pressure: + - 10.45 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1120.951 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 93.452 us + pressure: + - 10.37 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1094.092 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 187.0 us + pressure: + - 10.41 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1088.578 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 407.66 us + pressure: + - 10.21 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1074.241 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 749.89 us + pressure: + - 10.53 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1071.938 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 769.18 us + pressure: + - 10.48 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1057.921 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 1311.1 us + pressure: + - 10.25 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1048.361 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 1733.7 us + pressure: + - 10.33 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1029.431 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 2537.5 us + pressure: + - 10.37 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1030.121 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 3530.2 us + pressure: + - 10.39 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + diff --git a/Hydrogen/Pan_2014_ST_C0_phi_1.0.yaml b/Hydrogen/Pan_2014_ST_C0_phi_1.0.yaml new file mode 100644 index 0000000..d06e710 --- /dev/null +++ b/Hydrogen/Pan_2014_ST_C0_phi_1.0.yaml @@ -0,0 +1,179 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.10.015 + authors: + - name: Lun Pan + - name: Erjiang Hu + ORCID: 0000-0002-0762-9018 + - name: Jiaxiang Zhang + - name: Zihang Zhang + - name: Zuohua Huang + journal: Combustion and Flame + year: 2014 + volume: 161 + pages: 735-747 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: State Key Laboratory of Multiphase Flows in Power Engineering, Xi'an Jiatong University, Xi'an 710049, PR China + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.05917 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.02959 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.91124 + pressure-rise: &pres-rise + - 0.04 1/ms + ignition-type: &ign + target: OH* + type: d/dt max extrapolated +datapoints: + - temperature: + - 1181.098 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 31.5 us + pressure: + - 10.14 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1150.324 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 46.8 us + pressure: + - 10.26 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1131.26 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 79.1 us + pressure: + - 10.33 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1131.26 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 93.8 us + pressure: + - 10.21 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1115.014 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 157.2 us + pressure: + - 10.03 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1107.064 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 187.8 us + pressure: + - 10.38 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1099.239 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 317.4 us + pressure: + - 10.43 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1082.849 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 422.9 us + pressure: + - 10.25 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1059.67 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 797.3 us + pressure: + - 10.13 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1035.786 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 1399.3 us + pressure: + - 10.24 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1027.982 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 2025.6 us + pressure: + - 10.19 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + diff --git a/Hydrogen/Pan_2014_ST_C0_phi_2.0.yaml b/Hydrogen/Pan_2014_ST_C0_phi_2.0.yaml new file mode 100644 index 0000000..2aa89fc --- /dev/null +++ b/Hydrogen/Pan_2014_ST_C0_phi_2.0.yaml @@ -0,0 +1,143 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2013.10.015 + authors: + - name: Lun Pan + - name: Erjiang Hu + ORCID: 0000-0002-0762-9018 + - name: Jiaxiang Zhang + - name: Zihang Zhang + - name: Zuohua Huang + journal: Combustion and Flame + year: 2014 + volume: 161 + pages: 735-747 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: State Key Laboratory of Multiphase Flows in Power Engineering, Xi'an Jiatong University, Xi'an 710049, PR China + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.09132 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.02283 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.88585 + pressure-rise: &pres-rise + - 0.04 1/ms + ignition-type: &ign + target: OH* + type: d/dt max extrapolated +datapoints: + - temperature: + - 1154.748 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 51.7 us + pressure: + - 10.22 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1151.503 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 57.6 us + pressure: + - 10.03 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1119.169 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 114.6 us + pressure: + - 10.09 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1104.082 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 185.1 us + pressure: + - 10.13 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1072.536 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 389.2 us + pressure: + - 10.25 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1067.954 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 621.5 us + pressure: + - 10.46 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1040.81 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 1307.4 us + pressure: + - 10.54 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1019.378 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 2259.9 us + pressure: + - 10.23 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + diff --git a/Hydrogen/Pan_Zhang_2014_ST_mix5.yaml b/Hydrogen/Pan_Zhang_2014_ST_mix5.yaml new file mode 100644 index 0000000..ebb24a4 --- /dev/null +++ b/Hydrogen/Pan_Zhang_2014_ST_mix5.yaml @@ -0,0 +1,366 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2014.01.157 + authors: + - name: Lun Pan + - name: Yingjia Zhang + - name: Jiaxiang Zhang + - name: Zemin Tian + - name: Zuohua Huang + journal: International Journal of Hydrogen Energy + year: 2014 + volume: 39 + pages: 6024-6033 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: State Key Laboratory of Multiphase Flows in Power Engineering, Xi'an Jiaotong University + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.05917 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.02959 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.91124 + pressure-rise: &pres-rise + - 0.04 1/ms + ignition-type: &ign + target: OH* + type: d/dt max +datapoints: + - temperature: + - 1124.6 K + ignition-delay: + - 298.5 us + pressure: + - 1.29 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1253.9 K + ignition-delay: + - 141.4 us + pressure: + - 1.23 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1317.0 K + ignition-delay: + - 105.0 us + pressure: + - 1.24 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1335.8 K + ignition-delay: + - 108.4 us + pressure: + - 1.25 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1456.7 K + ignition-delay: + - 67.5 us + pressure: + - 1.27 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1384.3 K + ignition-delay: + - 83.4 us + pressure: + - 1.24 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1149.5 K + ignition-delay: + - 247.8 us + pressure: + - 1.22 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1163.2 K + ignition-delay: + - 260.4 us + pressure: + - 1.23 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1214.8 K + ignition-delay: + - 179.2 us + pressure: + - 1.22 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1084.4 K + ignition-delay: + - 396.6 us + pressure: + - 1.26 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1050.4 K + ignition-delay: + - 476.7 us + pressure: + - 1.25 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 987.3 K + ignition-delay: + - 753.5 us + pressure: + - 1.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 915.1 K + ignition-delay: + - 1930.4 us + pressure: + - 1.23 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1089.2 K + ignition-delay: + - 147.3 us + pressure: + - 4.1 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1227.3 K + ignition-delay: + - 71.0 us + pressure: + - 4.7 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1151.0 K + ignition-delay: + - 89.5 us + pressure: + - 4.25 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1066.0 K + ignition-delay: + - 227.9 us + pressure: + - 4.06 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1016.4 K + ignition-delay: + - 621.0 us + pressure: + - 4.11 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1002.5 K + ignition-delay: + - 1133.9 us + pressure: + - 4.17 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 962.0 K + ignition-delay: + - 3225.1 us + pressure: + - 4.23 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1045.9 K + ignition-delay: + - 307.5 us + pressure: + - 4.13 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1244.7 K + ignition-delay: + - 14.9 us + pressure: + - 16.71 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1230.4 K + ignition-delay: + - 22.2 us + pressure: + - 16.23 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1117.2 K + ignition-delay: + - 433.4 us + pressure: + - 1.19 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1249.2 K + ignition-delay: + - 15.8 us + pressure: + - 16.73 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1137.1 K + ignition-delay: + - 263.2 us + pressure: + - 16.23 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1028.6 K + ignition-delay: + - 1756.7 us + pressure: + - 16.63 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1082.4 K + ignition-delay: + - 1241.3 us + pressure: + - 16.2 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1150.1 K + ignition-delay: + - 114.1 us + pressure: + - 16.63 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1077.1 K + ignition-delay: + - 992.1 us + pressure: + - 16.36 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1177.7 K + ignition-delay: + - 42.2 us + pressure: + - 16.07 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1038.9 K + ignition-delay: + - 1575.5 us + pressure: + - 16.32 atm + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + diff --git a/Hydrogen/Pang_2009_ST_mix1.yaml b/Hydrogen/Pang_2009_ST_mix1.yaml new file mode 100644 index 0000000..df260cc --- /dev/null +++ b/Hydrogen/Pang_2009_ST_mix1.yaml @@ -0,0 +1,514 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.proci.2008.06.014 + authors: + - name: G. A. Pang + - name: D. F. Davidson + - name: R. K. Hanson + journal: Proceedings of the Combustion Institute + year: 2009 + volume: 32 + pages: 181-188 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Dept. of Mechanical Engineering, Stanford University + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.04 + - uncertainty-type: absolute + uncertainty: 0.02 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.02 + - uncertainty-type: absolute + uncertainty: 0.02 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.94 + - uncertainty-type: absolute + uncertainty: 0.02 + pressure-rise: &pres-rise + - 0.02 1/ms + - uncertainty-type: relative + uncertainty: 0.005 + ignition-type: &ign + target: OH* + type: d/dt max extrapolated +datapoints: + - temperature: + - 924.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 10050.0 us + pressure: + - 3.42 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 930.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 7912.0 us + pressure: + - 3.586 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 930.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 13090.0 us + pressure: + - 3.534 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 930.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 10420.0 us + pressure: + - 3.635 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 931.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 7851.0 us + pressure: + - 3.622 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 938.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 7723.0 us + pressure: + - 3.651 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 938.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 6973.0 us + pressure: + - 3.535 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 938.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 6133.0 us + pressure: + - 3.52 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 939.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 6803.0 us + pressure: + - 3.622 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 939.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 7274.0 us + pressure: + - 3.598 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 944.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 5627.0 us + pressure: + - 3.651 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 944.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 6819.0 us + pressure: + - 3.525 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 949.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 4740.0 us + pressure: + - 3.512 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 957.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 3652.0 us + pressure: + - 3.541 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 958.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 3737.0 us + pressure: + - 3.706 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 964.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 3882.0 us + pressure: + - 3.566 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 967.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 3408.0 us + pressure: + - 3.515 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 967.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 3352.0 us + pressure: + - 3.711 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 971.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 2377.0 us + pressure: + - 3.627 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 973.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 2260.0 us + pressure: + - 3.624 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 975.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 3229.0 us + pressure: + - 3.687 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 977.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 2893.0 us + pressure: + - 3.589 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 981.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 2920.0 us + pressure: + - 3.646 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 984.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 1625.0 us + pressure: + - 3.679 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 987.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 2075.0 us + pressure: + - 3.397 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 992.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 1641.0 us + pressure: + - 3.448 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1000.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 1103.0 us + pressure: + - 3.651 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1003.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 1060.0 us + pressure: + - 3.572 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1010.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 628.0 us + pressure: + - 3.454 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1014.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 637.0 us + pressure: + - 3.437 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1021.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 618.4 us + pressure: + - 3.374 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1102.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 183.7 us + pressure: + - 3.393 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1118.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 149.7 us + pressure: + - 3.392 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + diff --git a/Hydrogen/Pang_2009_ST_mix2.yaml b/Hydrogen/Pang_2009_ST_mix2.yaml new file mode 100644 index 0000000..963fa2d --- /dev/null +++ b/Hydrogen/Pang_2009_ST_mix2.yaml @@ -0,0 +1,234 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.proci.2008.06.014 + authors: + - name: G. A. Pang + - name: D. F. Davidson + - name: R. K. Hanson + journal: Proceedings of the Combustion Institute + year: 2009 + volume: 32 + pages: 181-188 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Dept. of Mechanical Engineering, Stanford University + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.15 + - uncertainty-type: absolute + uncertainty: 0.02 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.18 + - uncertainty-type: absolute + uncertainty: 0.02 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.67 + - uncertainty-type: absolute + uncertainty: 0.02 + pressure-rise: &pres-rise + - 0.02 1/ms + - uncertainty-type: relative + uncertainty: 0.005 + ignition-type: &ign + target: OH* + type: d/dt max extrapolated +datapoints: + - temperature: + - 906.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 9130.0 us + pressure: + - 3.5 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.42 + - temperature: + - 908.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 6210.0 us + pressure: + - 3.4 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.42 + - temperature: + - 909.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 6185.0 us + pressure: + - 3.4 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.42 + - temperature: + - 919.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 6645.0 us + pressure: + - 3.4 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.42 + - temperature: + - 928.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 3595.0 us + pressure: + - 3.4 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.42 + - temperature: + - 943.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 3280.0 us + pressure: + - 3.4 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.42 + - temperature: + - 951.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 2810.0 us + pressure: + - 3.3 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.42 + - temperature: + - 963.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 1614.0 us + pressure: + - 3.3 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.42 + - temperature: + - 969.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 1268.0 us + pressure: + - 3.2 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.42 + - temperature: + - 992.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 581.5 us + pressure: + - 3.2 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.42 + - temperature: + - 999.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 352.0 us + pressure: + - 3.1 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.42 + - temperature: + - 1027.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 82.0 us + pressure: + - 3.1 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.42 + - temperature: + - 1049.0 K + - uncertainty-type: relative + uncertainty: 0.007 + ignition-delay: + - 46.55 us + pressure: + - 3.0 atm + - uncertainty-type: relative + uncertainty: 0.01 + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.42 + diff --git a/Hydrogen/Petersen_1995_ST_C0_xH2_0.1.yaml b/Hydrogen/Petersen_1995_ST_C0_xH2_0.1.yaml new file mode 100644 index 0000000..26d8856 --- /dev/null +++ b/Hydrogen/Petersen_1995_ST_C0_xH2_0.1.yaml @@ -0,0 +1,218 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.2514/6.1995-3113 + authors: + - name: E.L. Petersen + - name: D.F. Davidson + - name: M. Roehrig + - name: R.K. Hanson + journal: 31st Joint Propulsion Conference and Exhibit + year: 1995 + detail: from "Fundamental Kinetics Database Utilizing Shock Tube Measurements" Volume 1 (https://purl.stanford.edu/kb621cw6967) +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Dept. of Mechanical Engineering, Stanford University + facility: High Pressure, stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.001 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0005 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.9985 + ignition-type: &ign + target: OH* + type: d/dt max +datapoints: + - temperature: + - 1361.0 K + ignition-delay: + - 145.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 64.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1366.0 K + ignition-delay: + - 202.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 64.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1462.0 K + ignition-delay: + - 94.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 64.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1481.0 K + ignition-delay: + - 53.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 64.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1524.0 K + ignition-delay: + - 49.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 64.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1553.0 K + ignition-delay: + - 39.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 64.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1555.0 K + ignition-delay: + - 49.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 64.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1560.0 K + ignition-delay: + - 47.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 64.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1575.0 K + ignition-delay: + - 49.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 64.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1577.0 K + ignition-delay: + - 35.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 64.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1577.0 K + ignition-delay: + - 31.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 64.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1577.0 K + ignition-delay: + - 42.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 64.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1585.0 K + ignition-delay: + - 38.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 64.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1585.0 K + ignition-delay: + - 40.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 64.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1616.0 K + ignition-delay: + - 29.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 64.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1876.0 K + ignition-delay: + - 21.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 64.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + diff --git a/Hydrogen/Petersen_1995_ST_C0_xH2_0.33.yaml b/Hydrogen/Petersen_1995_ST_C0_xH2_0.33.yaml new file mode 100644 index 0000000..6712ce9 --- /dev/null +++ b/Hydrogen/Petersen_1995_ST_C0_xH2_0.33.yaml @@ -0,0 +1,119 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.2514/6.1995-3113 + authors: + - name: E.L. Petersen + - name: D.F. Davidson + - name: M. Roehrig + - name: R.K. Hanson + journal: 31st Joint Propulsion Conference and Exhibit + year: 1995 + detail: from "Fundamental Kinetics Database Utilizing Shock Tube Measurements" Volume 1 (https://purl.stanford.edu/kb621cw6967) +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Dept. of Mechanical Engineering, Stanford University + facility: High Pressure, stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.0033 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.00167 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.99503 + ignition-type: &ign + target: OH* + type: d/dt max +datapoints: + - temperature: + - 1684.0 K + ignition-delay: + - 12.0 us + - uncertainty-type: relative + uncertainty: 0.05 + pressure: + - 64.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1701.0 K + ignition-delay: + - 9.0 us + - uncertainty-type: relative + uncertainty: 0.05 + pressure: + - 64.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1709.0 K + ignition-delay: + - 10.0 us + - uncertainty-type: relative + uncertainty: 0.05 + pressure: + - 64.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1712.0 K + ignition-delay: + - 9.0 us + - uncertainty-type: relative + uncertainty: 0.05 + pressure: + - 64.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1715.0 K + ignition-delay: + - 10.0 us + - uncertainty-type: relative + uncertainty: 0.05 + pressure: + - 64.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1733.0 K + ignition-delay: + - 9.0 us + - uncertainty-type: relative + uncertainty: 0.05 + pressure: + - 64.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1779.0 K + ignition-delay: + - 8.0 us + - uncertainty-type: relative + uncertainty: 0.05 + pressure: + - 64.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + diff --git a/Hydrogen/Petersen_1995_ST_C0_xH2_0.5.yaml b/Hydrogen/Petersen_1995_ST_C0_xH2_0.5.yaml new file mode 100644 index 0000000..258980a --- /dev/null +++ b/Hydrogen/Petersen_1995_ST_C0_xH2_0.5.yaml @@ -0,0 +1,460 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.2514/6.1995-3113 + authors: + - name: E.L. Petersen + - name: D.F. Davidson + - name: M. Roehrig + - name: R.K. Hanson + journal: 31st Joint Propulsion Conference and Exhibit + year: 1995 + detail: from "Fundamental Kinetics Database Utilizing Shock Tube Measurements" Volume 1 (https://purl.stanford.edu/kb621cw6967) +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Dept. of Mechanical Engineering, Stanford University + facility: High Pressure, stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.005 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0025 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.9925 + ignition-type: &ign + target: OH* + type: d/dt max +datapoints: + - temperature: + - 1684.0 K + ignition-delay: + - 12.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 33.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1709.0 K + ignition-delay: + - 9.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 33.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1709.0 K + ignition-delay: + - 12.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 33.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1715.0 K + ignition-delay: + - 11.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 33.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1724.0 K + ignition-delay: + - 11.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 33.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1730.0 K + ignition-delay: + - 11.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 33.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1736.0 K + ignition-delay: + - 11.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 33.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1739.0 K + ignition-delay: + - 11.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 33.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1754.0 K + ignition-delay: + - 10.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 33.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1764.0 K + ignition-delay: + - 10.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 33.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1773.0 K + ignition-delay: + - 10.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 33.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1792.0 K + ignition-delay: + - 9.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 33.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1655.0 K + ignition-delay: + - 12.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 57.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1669.0 K + ignition-delay: + - 11.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 57.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1672.0 K + ignition-delay: + - 7.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 57.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1678.0 K + ignition-delay: + - 7.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 57.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1681.0 K + ignition-delay: + - 7.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 57.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1683.0 K + ignition-delay: + - 13.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 57.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1684.0 K + ignition-delay: + - 6.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 57.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1685.0 K + ignition-delay: + - 6.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 57.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1700.0 K + ignition-delay: + - 6.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 57.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1710.0 K + ignition-delay: + - 10.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 57.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1713.0 K + ignition-delay: + - 6.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 57.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1714.0 K + ignition-delay: + - 6.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 57.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1733.0 K + ignition-delay: + - 6.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 57.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1748.0 K + ignition-delay: + - 7.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 57.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1757.0 K + ignition-delay: + - 5.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 57.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1779.0 K + ignition-delay: + - 8.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 57.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1930.0 K + ignition-delay: + - 4.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 57.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1279.0 K + ignition-delay: + - 265.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 64.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1314.0 K + ignition-delay: + - 152.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 64.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1344.0 K + ignition-delay: + - 69.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 64.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1715.0 K + ignition-delay: + - 6.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 87.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1704.0 K + ignition-delay: + - 6.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 87.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1701.0 K + ignition-delay: + - 5.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 87.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1706.0 K + ignition-delay: + - 6.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 87.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1712.0 K + ignition-delay: + - 6.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 87.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1715.0 K + ignition-delay: + - 6.0 us + - uncertainty-type: relative + uncertainty: 0.5 + pressure: + - 87.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + diff --git a/Hydrogen/Petersen_1995_ST_C0_xH2_2.yaml b/Hydrogen/Petersen_1995_ST_C0_xH2_2.yaml new file mode 100644 index 0000000..bb0f812 --- /dev/null +++ b/Hydrogen/Petersen_1995_ST_C0_xH2_2.yaml @@ -0,0 +1,130 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.2514/6.1995-3113 + authors: + - name: E.L. Petersen + - name: D.F. Davidson + - name: M. Roehrig + - name: R.K. Hanson + journal: 31st Joint Propulsion Conference and Exhibit + year: 1995 + detail: from "Fundamental Kinetics Database Utilizing Shock Tube Measurements" Volume 1 (https://purl.stanford.edu/kb621cw6967) +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Dept. of Mechanical Engineering, Stanford University + facility: High Pressure, stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.02 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.01 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.97 + ignition-type: &ign + target: OH* + type: d/dt max +datapoints: + - temperature: + - 1189.0 K + ignition-delay: + - 393.0 us + - uncertainty-type: relative + uncertainty: 0.05 + pressure: + - 33.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1206.0 K + ignition-delay: + - 89.0 us + - uncertainty-type: relative + uncertainty: 0.05 + pressure: + - 33.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1206.0 K + ignition-delay: + - 203.0 us + - uncertainty-type: relative + uncertainty: 0.05 + pressure: + - 33.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1221.0 K + ignition-delay: + - 133.0 us + - uncertainty-type: relative + uncertainty: 0.05 + pressure: + - 33.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1252.0 K + ignition-delay: + - 57.0 us + - uncertainty-type: relative + uncertainty: 0.05 + pressure: + - 33.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1264.0 K + ignition-delay: + - 29.0 us + - uncertainty-type: relative + uncertainty: 0.05 + pressure: + - 33.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1289.0 K + ignition-delay: + - 13.0 us + - uncertainty-type: relative + uncertainty: 0.05 + pressure: + - 33.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1300.0 K + ignition-delay: + - 13.0 us + - uncertainty-type: relative + uncertainty: 0.05 + pressure: + - 33.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + diff --git a/Hydrogen/Petersen_2003_ST_fig_2.yaml b/Hydrogen/Petersen_2003_ST_fig_2.yaml new file mode 100644 index 0000000..8ccd83e --- /dev/null +++ b/Hydrogen/Petersen_2003_ST_fig_2.yaml @@ -0,0 +1,211 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.2514/6.2003-4493 + authors: + - name: E.L. Petersen + - name: D.M. Kalitan + - name: M.J.A. Rickard + journal: 39th AIAA/ASME/SAE/ASEE Joint Propulsion Conference and Exhibit + year: 2003 + detail: Fig.2.-full square [Converted from ReSpecTh XML file x10000008.xml] +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: University of Florida + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.03 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.015 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.955 + pressure: &pres + - 1 atm + ignition-type: &ign + target: OH* + type: d/dt max +datapoints: + - temperature: + - 1431 K + ignition-delay: + - 115.7 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1424 K + ignition-delay: + - 142.2 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1400 K + ignition-delay: + - 153.1 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1364 K + ignition-delay: + - 166.6 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1352 K + ignition-delay: + - 189.2 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1334 K + ignition-delay: + - 188.2 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1276 K + ignition-delay: + - 238.5 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1244 K + ignition-delay: + - 293.3 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1239 K + ignition-delay: + - 286.2 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1220 K + ignition-delay: + - 347.5 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1203 K + ignition-delay: + - 351.7 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1202 K + ignition-delay: + - 371.6 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1182 K + ignition-delay: + - 385.3 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1173 K + ignition-delay: + - 404.6 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1172 K + ignition-delay: + - 427.4 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1150 K + ignition-delay: + - 531.6 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1149 K + ignition-delay: + - 454.3 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1134 K + ignition-delay: + - 522.1 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1130 K + ignition-delay: + - 497.7 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1096 K + ignition-delay: + - 582.8 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1048 K + ignition-delay: + - 891.6 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1026 K + ignition-delay: + - 908.4 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1009 K + ignition-delay: + - 1245.3 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1343 K + ignition-delay: + - 198.6 us + composition: *comp + pressure: *pres + ignition-type: *ign + \ No newline at end of file diff --git a/Hydrogen/Petersen_2003_ST_fig_3.yaml b/Hydrogen/Petersen_2003_ST_fig_3.yaml new file mode 100644 index 0000000..33580eb --- /dev/null +++ b/Hydrogen/Petersen_2003_ST_fig_3.yaml @@ -0,0 +1,106 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.2514/6.2003-4493 + authors: + - name: E.L. Petersen + - name: D.M. Kalitan + - name: M.J.A. Rickard + journal: 39th AIAA/ASME/SAE/ASEE Joint Propulsion Conference and Exhibit + year: 2003 + detail: Fig.3.-full circle [Converted from ReSpecTh XML file x10000017.xml] +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: University of Florida + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.0103 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.005 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.9847 + pressure: &pres + - 1 atm + ignition-type: &ign + target: OH* + type: d/dt max +datapoints: + - temperature: + - 1545 K + ignition-delay: + - 207.8 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1442 K + ignition-delay: + - 269 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1433 K + ignition-delay: + - 247.9 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1390 K + ignition-delay: + - 345.6 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1312 K + ignition-delay: + - 444 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1302 K + ignition-delay: + - 464.3 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1270 K + ignition-delay: + - 601.1 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1181 K + ignition-delay: + - 977.9 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1753 K + ignition-delay: + - 92.9 us + composition: *comp + pressure: *pres + ignition-type: *ign + \ No newline at end of file diff --git a/Hydrogen/Petersen_2003_ST_fig_4.yaml b/Hydrogen/Petersen_2003_ST_fig_4.yaml new file mode 100644 index 0000000..748e90e --- /dev/null +++ b/Hydrogen/Petersen_2003_ST_fig_4.yaml @@ -0,0 +1,70 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.2514/6.2003-4493 + authors: + - name: E.L. Petersen + - name: D.M. Kalitan + - name: M.J.A. Rickard + journal: 39th AIAA/ASME/SAE/ASEE Joint Propulsion Conference and Exhibit + year: 2003 + detail: Fig.4.-full triangle [Converted from ReSpecTh XML file x10000016.xml] +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: University of Florida + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.0336 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.0114 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.955 + pressure: &pres + - 1 atm + ignition-type: &ign + target: OH* + type: d/dt max +datapoints: + - temperature: + - 1511 K + ignition-delay: + - 120.2 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1305 K + ignition-delay: + - 201.9 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1225 K + ignition-delay: + - 274.5 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1111 K + ignition-delay: + - 571.8 us + composition: *comp + pressure: *pres + ignition-type: *ign \ No newline at end of file diff --git a/Hydrogen/Schott_1958_ST_phi_0.25.yaml b/Hydrogen/Schott_1958_ST_phi_0.25.yaml new file mode 100644 index 0000000..5c048d0 --- /dev/null +++ b/Hydrogen/Schott_1958_ST_phi_0.25.yaml @@ -0,0 +1,178 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1063/1.1744674 + authors: + - name: G.L. Schott + - name: J.L. Kinsey + journal: The Journal of Chemical Physics + year: 1958 + volume: 29 + pages: 1177-1182 + detail: Fig.3.-open triangle. [Converted from ReSpecTh XML file x10000002.xml] +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Los Alamos Scientific Laboratory, Los Alamos, New Mexico + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.01 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.02 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.97 + ignition-type: &ign + target: OH + type: max +datapoints: + - temperature: + - 1670 K + ignition-delay: + - 77 us + pressure: + - 0.75 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1646 K + ignition-delay: + - 78 us + pressure: + - 0.736 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1308 K + ignition-delay: + - 194 us + pressure: + - 0.928 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1304 K + ignition-delay: + - 85 us + pressure: + - 1.846 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1302 K + ignition-delay: + - 74 us + pressure: + - 1.838 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1312 K + ignition-delay: + - 94 us + pressure: + - 1.857 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1291 K + ignition-delay: + - 187 us + pressure: + - 0.913 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1086 K + ignition-delay: + - 360 us + pressure: + - 1.747 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1097 K + ignition-delay: + - 331 us + pressure: + - 1.769 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1626 K + ignition-delay: + - 45 us + pressure: + - 1.454 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1180 K + ignition-delay: + - 261 us + pressure: + - 1.297 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1154 K + ignition-delay: + - 263 us + pressure: + - 1.259 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1836 K + ignition-delay: + - 43 us + pressure: + - 0.841 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1826 K + ignition-delay: + - 48 us + pressure: + - 0.834 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1200 K + ignition-delay: + - 150 us + pressure: + - 1.989 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1175 K + ignition-delay: + - 355 us + pressure: + - 0.876 atm + composition: *comp + ignition-type: *ign + - temperature: + - 1616 K + ignition-delay: + - 38 us + pressure: + - 1.445 atm + composition: *comp + ignition-type: *ign + diff --git a/Hydrogen/Shao_Choundhary_2018_ST_Ar.yaml b/Hydrogen/Shao_Choundhary_2018_ST_Ar.yaml new file mode 100644 index 0000000..3c2fcfd --- /dev/null +++ b/Hydrogen/Shao_Choundhary_2018_ST_Ar.yaml @@ -0,0 +1,188 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.proci.2018.05.077 + authors: + - name: Jiankun Shao + ORCID: 0000-0002-2156-7589 + - name: Rishav Choudhary + ORCID: 0000-0003-3480-7200 + - name: Adam Susa + - name: David F. Davidson + ORCID: 0000-0002-4470-0135 + - name: Ronald K. Hanson + journal: Proceedings of the Combustion Institute + year: 2018 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Stanford University + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.03 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.015 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.955 + ignition-type: &ign + target: pressure + type: d/dt max extrapolated +datapoints: + - temperature: + - 1249.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 77.0 us + - uncertainty-type: absolute + uncertainty: 5 us + pressure: + - 32.5 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1240.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 101.0 us + - uncertainty-type: absolute + uncertainty: 5 us + pressure: + - 32.4 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1255.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 60.0 us + - uncertainty-type: absolute + uncertainty: 5 us + pressure: + - 31.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1262.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 47.0 us + - uncertainty-type: absolute + uncertainty: 5 us + pressure: + - 31.5 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1184.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 133.0 us + - uncertainty-type: absolute + uncertainty: 5 us + pressure: + - 16.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1196.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 90.0 us + - uncertainty-type: absolute + uncertainty: 5 us + pressure: + - 16.9 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1212.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 59.0 us + - uncertainty-type: absolute + uncertainty: 5 us + pressure: + - 16.9 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1196.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 97.0 us + - uncertainty-type: absolute + uncertainty: 5 us + pressure: + - 17.4 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1224.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 48.0 us + - uncertainty-type: absolute + uncertainty: 5 us + pressure: + - 16.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1214.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 60.0 us + - uncertainty-type: absolute + uncertainty: 5 us + pressure: + - 17.1 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1230.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 102.0 us + - uncertainty-type: absolute + uncertainty: 5 us + pressure: + - 28.7 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + diff --git a/Hydrogen/Shao_Choundhary_2018_ST_CO2.yaml b/Hydrogen/Shao_Choundhary_2018_ST_CO2.yaml new file mode 100644 index 0000000..206f31f --- /dev/null +++ b/Hydrogen/Shao_Choundhary_2018_ST_CO2.yaml @@ -0,0 +1,218 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.proci.2018.05.077 + authors: + - name: Jiankun Shao + ORCID: 0000-0002-2156-7589 + - name: Rishav Choudhary + ORCID: 0000-0003-3480-7200 + - name: Adam Susa + - name: David F. Davidson + ORCID: 0000-0002-4470-0135 + - name: Ronald K. Hanson + journal: Proceedings of the Combustion Institute + year: 2018 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Stanford University + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.03 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.015 + - species-name: CO2 + InChI: 1S/CO2/c2-1-3 + amount: + - 0.20 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.755 + ignition-type: &ign + target: pressure + type: d/dt max extrapolated +datapoints: + - temperature: + - 1223.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 217.0 us + - uncertainty-type: absolute + uncertainty: 5 us + pressure: + - 19.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1267.5 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 93.0 us + - uncertainty-type: absolute + uncertainty: 5 us + pressure: + - 18.5 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1203.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 281.0 us + - uncertainty-type: absolute + uncertainty: 5 us + pressure: + - 17.4 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1235.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 178.0 us + - uncertainty-type: absolute + uncertainty: 5 us + pressure: + - 18.4 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1189.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 221.0 us + - uncertainty-type: absolute + uncertainty: 5 us + pressure: + - 11.9 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1185.5 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 236.0 us + - uncertainty-type: absolute + uncertainty: 5 us + pressure: + - 12.3 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1191.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 210.0 us + - uncertainty-type: absolute + uncertainty: 5 us + pressure: + - 11.5 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1228.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 118.0 us + - uncertainty-type: absolute + uncertainty: 5 us + pressure: + - 11.7 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1185.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 234.0 us + - uncertainty-type: absolute + uncertainty: 5 us + pressure: + - 12.1 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1224.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 191.0 us + - uncertainty-type: absolute + uncertainty: 5 us + pressure: + - 16.4 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1238.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 144.0 us + - uncertainty-type: absolute + uncertainty: 5 us + pressure: + - 16.1 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1180.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 189.0 us + - uncertainty-type: absolute + uncertainty: 5 us + pressure: + - 11.7 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1179.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 173.0 us + - uncertainty-type: absolute + uncertainty: 5 us + pressure: + - 11.3 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + diff --git a/Hydrogen/Shao_Choundhary_2018_ST_N2.yaml b/Hydrogen/Shao_Choundhary_2018_ST_N2.yaml new file mode 100644 index 0000000..61c7758 --- /dev/null +++ b/Hydrogen/Shao_Choundhary_2018_ST_N2.yaml @@ -0,0 +1,110 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.proci.2018.05.077 + authors: + - name: Jiankun Shao + ORCID: 0000-0002-2156-7589 + - name: Rishav Choudhary + ORCID: 0000-0003-3480-7200 + - name: Adam Susa + - name: David F. Davidson + ORCID: 0000-0002-4470-0135 + - name: Ronald K. Hanson + journal: Proceedings of the Combustion Institute + year: 2018 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Stanford University + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.03 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.015 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.955 + ignition-type: &ign + target: pressure + type: d/dt max extrapolated +datapoints: + - temperature: + - 1228.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 64.0 us + - uncertainty-type: absolute + uncertainty: 5 us + pressure: + - 12.6 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1201.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 126.0 us + - uncertainty-type: absolute + uncertainty: 5 us + pressure: + - 12.7 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1199.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 132.0 us + - uncertainty-type: absolute + uncertainty: 5 us + pressure: + - 13.0 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1225.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 69.0 us + - uncertainty-type: absolute + uncertainty: 5 us + pressure: + - 12.6 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1201.0 K + - uncertainty-type: absolute + uncertainty: 10 K + ignition-delay: + - 125.0 us + - uncertainty-type: absolute + uncertainty: 5 us + pressure: + - 13.1 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + diff --git a/Hydrogen/Skinner_1965_ST_CO.yaml b/Hydrogen/Skinner_1965_ST_CO.yaml new file mode 100644 index 0000000..3660298 --- /dev/null +++ b/Hydrogen/Skinner_1965_ST_CO.yaml @@ -0,0 +1,99 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1063/1.1696266 + authors: + - name: Gordon B. Skinner + - name: Gordon H. Ringrose + journal: The Journal of Chemical Physics + year: 1965 + volume: 42 + pages: 2190-2192 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Monsanto Research Corporation, Dayton OH + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.08 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.02 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.90 + pressure: &pres + - 5 atm + ignition-type: &ign + target: OH + type: max +datapoints: + - temperature: + - 964.0 K + ignition-delay: + - 15000.0 us + composition: *comp + pressure: *pres + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 965.0 K + ignition-delay: + - 10000.0 us + composition: *comp + pressure: *pres + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 981.0 K + ignition-delay: + - 4300.0 us + composition: *comp + pressure: *pres + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1004.0 K + ignition-delay: + - 1700.0 us + composition: *comp + pressure: *pres + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1005.0 K + ignition-delay: + - 2300.0 us + composition: *comp + pressure: *pres + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1024.0 K + ignition-delay: + - 900.0 us + composition: *comp + pressure: *pres + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1075.0 K + ignition-delay: + - 220.0 us + composition: *comp + pressure: *pres + ignition-type: *ign + equivalence-ratio: 2.0 + diff --git a/Hydrogen/Slack_1977_ST_phi_1.yaml b/Hydrogen/Slack_1977_ST_phi_1.yaml new file mode 100644 index 0000000..a038f76 --- /dev/null +++ b/Hydrogen/Slack_1977_ST_phi_1.yaml @@ -0,0 +1,155 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/0010-2180(77)90031-1 + authors: + - name: M.W. Slack + journal: Combustion and Flame + year: 1977 + volume: 28 + pages: 241-249 + detail: Fig.2. -full circle [Converted from ReSpecTh XML file x10000005.xml] +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Grumman Aerospace Corporation, Bethpage, New York USA + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.2958 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.1479 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.5563 + pressure: &pres + - 2 atm + ignition-type: &ign + target: OH + type: d/dt max +datapoints: + - temperature: + - 1184 K + ignition-delay: + - 22.3 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1169 K + ignition-delay: + - 21.2 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1143 K + ignition-delay: + - 27.3 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1102 K + ignition-delay: + - 36.6 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1076 K + ignition-delay: + - 48.5 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1059 K + ignition-delay: + - 58.7 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1045 K + ignition-delay: + - 81.4 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1031 K + ignition-delay: + - 118.2 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1028 K + ignition-delay: + - 146.3 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1024 K + ignition-delay: + - 124 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1013 K + ignition-delay: + - 281.3 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1004 K + ignition-delay: + - 361.4 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 993 K + ignition-delay: + - 308.4 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 993 K + ignition-delay: + - 492 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 992 K + ignition-delay: + - 421.9 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 984 K + ignition-delay: + - 637.9 us + composition: *comp + pressure: *pres + ignition-type: *ign + \ No newline at end of file diff --git a/Hydrogen/Snyder_1965_ST_C0_phi_0.5.yaml b/Hydrogen/Snyder_1965_ST_C0_phi_0.5.yaml new file mode 100644 index 0000000..391ad95 --- /dev/null +++ b/Hydrogen/Snyder_1965_ST_C0_phi_0.5.yaml @@ -0,0 +1,508 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + authors: + - name: A.D. Snyder + - name: J. Robertson + - name: D.L. Zanders + - name: G.B. Skinner + year: 1965 + detail: http://www.dtic.mil/dtic/tr/fulltext/u2/470239.pdf ; Ignition time based on "rise in pressure" +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Air Force Aero Propulsion Laboratory, Research and Technology Division, Air Frce System Command. Wright-Patterson Air Force Base, OH + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.174 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.174 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.652 + ignition-type: &ign + target: pressure + type: d/dt max +datapoints: + - temperature: + - 950.6 K + ignition-delay: + - 0.55 ms + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 943.3 K + ignition-delay: + - 0.6 ms + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 922.2 K + ignition-delay: + - 2.2 ms + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 914.4 K + ignition-delay: + - 2.9 ms + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 911.7 K + ignition-delay: + - 1.9 ms + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 910.6 K + ignition-delay: + - 5.8 ms + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 899.4 K + ignition-delay: + - 8.2 ms + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 888.9 K + ignition-delay: + - 8.6 ms + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1047.2 K + ignition-delay: + - 0.1 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1032.2 K + ignition-delay: + - 0.14 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1025.0 K + ignition-delay: + - 0.2 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1013.9 K + ignition-delay: + - 0.4 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 990.6 K + ignition-delay: + - 0.85 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 989.4 K + ignition-delay: + - 0.88 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 983.3 K + ignition-delay: + - 1.1 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 977.2 K + ignition-delay: + - 1.3 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 955.0 K + ignition-delay: + - 4.6 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 943.9 K + ignition-delay: + - 5.7 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 922.2 K + ignition-delay: + - 11.6 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1033.0 K + ignition-delay: + - 0.24 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 998.9 K + ignition-delay: + - 0.52 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 998.9 K + ignition-delay: + - 0.76 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 985.6 K + ignition-delay: + - 6.8 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 971.7 K + ignition-delay: + - 1.8 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 967.2 K + ignition-delay: + - 1.9 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 965.6 K + ignition-delay: + - 2.9 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 962.8 K + ignition-delay: + - 1.9 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 952.2 K + ignition-delay: + - 7.6 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 949.5 K + ignition-delay: + - 4.4 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 938.3 K + ignition-delay: + - 7.0 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 918.9 K + ignition-delay: + - 5.6 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1073.3 K + ignition-delay: + - 0.26 ms + pressure: + - 6.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1051.1 K + ignition-delay: + - 0.52 ms + pressure: + - 6.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1022.8 K + ignition-delay: + - 0.8 ms + pressure: + - 6.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 995.0 K + ignition-delay: + - 1.3 ms + pressure: + - 6.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 971.1 K + ignition-delay: + - 1.85 ms + pressure: + - 6.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 871.7 K + ignition-delay: + - 8.4 ms + pressure: + - 6.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 871.1 K + ignition-delay: + - 8.2 ms + pressure: + - 6.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 858.3 K + ignition-delay: + - 11.4 ms + pressure: + - 6.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 963.3 K + ignition-delay: + - 0.26 ms + pressure: + - 8.85 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 949.4 K + ignition-delay: + - 0.6 ms + pressure: + - 8.85 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 940.6 K + ignition-delay: + - 0.96 ms + pressure: + - 8.85 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 917.8 K + ignition-delay: + - 1.2 ms + pressure: + - 8.85 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 917.2 K + ignition-delay: + - 0.6 ms + pressure: + - 8.85 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 910.0 K + ignition-delay: + - 0.9 ms + pressure: + - 8.85 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 901.7 K + ignition-delay: + - 1.8 ms + pressure: + - 8.85 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 897.8 K + ignition-delay: + - 1.4 ms + pressure: + - 8.85 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 858.9 K + ignition-delay: + - 2.4 ms + pressure: + - 8.85 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 858.3 K + ignition-delay: + - 5.8 ms + pressure: + - 8.85 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 857.2 K + ignition-delay: + - 2.2 ms + pressure: + - 8.85 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 836.7 K + ignition-delay: + - 10.6 ms + pressure: + - 8.85 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 830.6 K + ignition-delay: + - 7.6 ms + pressure: + - 8.85 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.5 + diff --git a/Hydrogen/Snyder_1965_ST_C0_phi_0.75.yaml b/Hydrogen/Snyder_1965_ST_C0_phi_0.75.yaml new file mode 100644 index 0000000..8cb271f --- /dev/null +++ b/Hydrogen/Snyder_1965_ST_C0_phi_0.75.yaml @@ -0,0 +1,445 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + authors: + - name: A.D. Snyder + - name: J. Robertson + - name: D.L. Zanders + - name: G.B. Skinner + year: 1965 + detail: http://www.dtic.mil/dtic/tr/fulltext/u2/470239.pdf ; Ignition time based on "rise in pressure" +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Air Force Aero Propulsion Laboratory, Research and Technology Division, Air Frce System Command. Wright-Patterson Air Force Base, OH + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.240 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.160 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.600 + ignition-type: &ign + target: pressure + type: d/dt max +datapoints: + - temperature: + - 969.4 K + ignition-delay: + - 0.46 ms + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 961.1 K + ignition-delay: + - 0.42 ms + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 959.4 K + ignition-delay: + - 0.7 ms + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 946.1 K + ignition-delay: + - 1.16 ms + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 944.4 K + ignition-delay: + - 1.18 ms + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 935.0 K + ignition-delay: + - 11.8 ms + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 931.7 K + ignition-delay: + - 2.3 ms + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 930.6 K + ignition-delay: + - 7.2 ms + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 924.4 K + ignition-delay: + - 7.4 ms + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 917.8 K + ignition-delay: + - 3.0 ms + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 911.1 K + ignition-delay: + - 2.0 ms + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 992.8 K + ignition-delay: + - 0.6 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 963.3 K + ignition-delay: + - 1.4 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 959.4 K + ignition-delay: + - 1.4 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 949.4 K + ignition-delay: + - 1.3 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 945.0 K + ignition-delay: + - 3.5 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 936.1 K + ignition-delay: + - 1.9 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 934.4 K + ignition-delay: + - 4.6 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 921.7 K + ignition-delay: + - 6.4 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 917.8 K + ignition-delay: + - 14.2 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 916.7 K + ignition-delay: + - 6.2 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 912.8 K + ignition-delay: + - 2.0 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 850.0 K + ignition-delay: + - 11.4 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 1012.8 K + ignition-delay: + - 0.32 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 983.3 K + ignition-delay: + - 0.65 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 962.2 K + ignition-delay: + - 0.8 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 960.0 K + ignition-delay: + - 1.6 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 948.3 K + ignition-delay: + - 1.4 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 942.2 K + ignition-delay: + - 1.4 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 923.9 K + ignition-delay: + - 3.0 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 918.9 K + ignition-delay: + - 2.6 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 911.7 K + ignition-delay: + - 4.2 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 897.2 K + ignition-delay: + - 10.4 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 894.4 K + ignition-delay: + - 9.8 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 880.0 K + ignition-delay: + - 4.0 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 947.4 K + ignition-delay: + - 0.37 ms + pressure: + - 6.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 957.2 K + ignition-delay: + - 0.97 ms + pressure: + - 6.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 951.1 K + ignition-delay: + - 1.38 ms + pressure: + - 6.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 924.4 K + ignition-delay: + - 2.5 ms + pressure: + - 6.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 902.8 K + ignition-delay: + - 4.0 ms + pressure: + - 6.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 890.0 K + ignition-delay: + - 1.3 ms + pressure: + - 6.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 880.6 K + ignition-delay: + - 1.7 ms + pressure: + - 6.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 868.9 K + ignition-delay: + - 2.1 ms + pressure: + - 6.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 855.0 K + ignition-delay: + - 8.0 ms + pressure: + - 6.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + - temperature: + - 844.4 K + ignition-delay: + - 11.4 ms + pressure: + - 6.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 0.75 + diff --git a/Hydrogen/Snyder_1965_ST_C0_phi_1.yaml b/Hydrogen/Snyder_1965_ST_C0_phi_1.yaml new file mode 100644 index 0000000..225640a --- /dev/null +++ b/Hydrogen/Snyder_1965_ST_C0_phi_1.yaml @@ -0,0 +1,562 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + authors: + - name: A.D. Snyder + - name: J. Robertson + - name: D.L. Zanders + - name: G.B. Skinner + year: 1965 + detail: http://www.dtic.mil/dtic/tr/fulltext/u2/470239.pdf ; Ignition time based on "rise in pressure" +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Air Force Aero Propulsion Laboratory, Research and Technology Division, Air Frce System Command. Wright-Patterson Air Force Base, OH + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.296 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.148 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.556 + ignition-type: &ign + target: pressure + type: d/dt max +datapoints: + - temperature: + - 967.2 K + ignition-delay: + - 0.38 ms + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 952.8 K + ignition-delay: + - 0.52 ms + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 946.1 K + ignition-delay: + - 0.6 ms + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 940.6 K + ignition-delay: + - 0.5 ms + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 932.8 K + ignition-delay: + - 1.75 ms + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 924.4 K + ignition-delay: + - 10.4 ms + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 924.4 K + ignition-delay: + - 7.0 ms + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 921.7 K + ignition-delay: + - 3.6 ms + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 918.3 K + ignition-delay: + - 1.7 ms + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 917.8 K + ignition-delay: + - 6.0 ms + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 912.8 K + ignition-delay: + - 6.2 ms + pressure: + - 1.02 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 981.1 K + ignition-delay: + - 0.55 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 972.8 K + ignition-delay: + - 1.0 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 964.4 K + ignition-delay: + - 1.35 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 958.9 K + ignition-delay: + - 1.6 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 953.9 K + ignition-delay: + - 1.9 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 948.3 K + ignition-delay: + - 2.4 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 937.2 K + ignition-delay: + - 1.8 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 932.2 K + ignition-delay: + - 1.8 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 926.7 K + ignition-delay: + - 2.4 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 919.4 K + ignition-delay: + - 1.4 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 910.6 K + ignition-delay: + - 2.0 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 886.7 K + ignition-delay: + - 14.6 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 856.7 K + ignition-delay: + - 11.0 ms + pressure: + - 2.04 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 975.6 K + ignition-delay: + - 1.25 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 973.3 K + ignition-delay: + - 1.45 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 972.2 K + ignition-delay: + - 0.35 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 971.7 K + ignition-delay: + - 0.65 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 964.4 K + ignition-delay: + - 1.9 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 950.0 K + ignition-delay: + - 1.35 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 940.0 K + ignition-delay: + - 1.25 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 938.9 K + ignition-delay: + - 6.2 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 937.2 K + ignition-delay: + - 3.25 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 925.0 K + ignition-delay: + - 7.2 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 923.3 K + ignition-delay: + - 8.4 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 914.4 K + ignition-delay: + - 1.4 ms + pressure: + - 4.08 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 942.2 K + ignition-delay: + - 1.05 ms + pressure: + - 6.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 940.6 K + ignition-delay: + - 1.05 ms + pressure: + - 6.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 932.2 K + ignition-delay: + - 1.05 ms + pressure: + - 6.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 923.9 K + ignition-delay: + - 1.2 ms + pressure: + - 6.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 909.4 K + ignition-delay: + - 3.0 ms + pressure: + - 6.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 908.9 K + ignition-delay: + - 9.2 ms + pressure: + - 6.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 901.1 K + ignition-delay: + - 0.6 ms + pressure: + - 6.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 895.0 K + ignition-delay: + - 0.4 ms + pressure: + - 6.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 885.6 K + ignition-delay: + - 1.0 ms + pressure: + - 6.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 882.2 K + ignition-delay: + - 5.0 ms + pressure: + - 6.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 932.2 K + ignition-delay: + - 1.2 ms + pressure: + - 8.85 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 917.2 K + ignition-delay: + - 0.8 ms + pressure: + - 8.85 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 916.1 K + ignition-delay: + - 0.48 ms + pressure: + - 8.85 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 908.3 K + ignition-delay: + - 0.3 ms + pressure: + - 8.85 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 892.2 K + ignition-delay: + - 1.4 ms + pressure: + - 8.85 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 886.7 K + ignition-delay: + - 1.4 ms + pressure: + - 8.85 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 870.0 K + ignition-delay: + - 1.65 ms + pressure: + - 8.85 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 867.8 K + ignition-delay: + - 2.0 ms + pressure: + - 8.85 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 843.9 K + ignition-delay: + - 6.6 ms + pressure: + - 8.85 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 832.8 K + ignition-delay: + - 8.4 ms + pressure: + - 8.85 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 826.1 K + ignition-delay: + - 8.6 ms + pressure: + - 8.85 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 807.8 K + ignition-delay: + - 11.4 ms + pressure: + - 8.85 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + diff --git a/Hydrogen/Vasu_2011_ST_phi_1.yaml b/Hydrogen/Vasu_2011_ST_phi_1.yaml new file mode 100644 index 0000000..84e5e34 --- /dev/null +++ b/Hydrogen/Vasu_2011_ST_phi_1.yaml @@ -0,0 +1,479 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1021/ef1015928 + authors: + - name: Subith S. Vasu + - name: David F. Davidson + - name: Ronald K. Hanson + journal: Energy & Fuels + year: 2011 + volume: 25 + pages: 990-997 +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Mechanical Engineering Department, Stanford University + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.0891 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.1025 + - species-name: CO + InChI: 1S/CO/c1-2 + amount: + - 0.1158 + - species-name: CO2 + InChI: 1S/CO2/c2-1-3 + amount: + - 0.2444 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.4482 + ignition-type: &ign + target: OH* + type: d/dt max extrapolated +datapoints: + - temperature: + - 974.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 1630.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 1.38 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 974.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 1907.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 1.35 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 981.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 1360.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 1.24 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 988.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 1225.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 1.28 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1000.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 820.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 1.27 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1015.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 420.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 1.36 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1016.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 490.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 1.29 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1029.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 358.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 1.25 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1032.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 239.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 1.28 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1065.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 182.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 1.3 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1069.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 144.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 1.22 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1076.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 143.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 1.16 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1081.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 146.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 1.13 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1081.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 139.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 1.19 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1095.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 131.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 1.19 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1120.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 93.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 1.2 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1135.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 80.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 1.2 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1135.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 83.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 1.19 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1151.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 66.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 1.1 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1160.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 73.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 1.22 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 975.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 1720.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 1.72 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 979.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 1256.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 1.74 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 983.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 1630.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 1.76 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 999.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 951.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 1.8 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1010.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 640.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 1.59 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1020.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 482.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 1.84 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1048.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 199.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 1.7 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1076.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 150.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 1.69 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1145.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 56.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 1.51 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1017.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 823.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 1.92 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1024.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 641.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 2.59 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1054.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 362.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 2.38 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1091.0 K + - uncertainty-type: relative + uncertainty: 0.15 + ignition-delay: + - 97.0 us + - uncertainty-type: relative + uncertainty: 0.01 + pressure: + - 2.31 atm + composition: *comp + ignition-type: *ign + equivalence-ratio: 1.0 + diff --git a/Hydrogen/Wang_2003_ST_fig_10_p16.yaml b/Hydrogen/Wang_2003_ST_fig_10_p16.yaml new file mode 100644 index 0000000..2fadf88 --- /dev/null +++ b/Hydrogen/Wang_2003_ST_fig_10_p16.yaml @@ -0,0 +1,126 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/S0010-2180(02)00552-7 + authors: + - name: B.L. Wang + - name: H. Olivier + - name: H. Grönig + journal: Combustion and Flame + year: 2003 + volume: 133 + pages: 93-106 + detail: Fig. 10.- crossed X [Converted from ReSpecTh XML file x10000026.xml] +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Shock Wave Laboratory, RWTH Aachen University, Germany + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1125 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.1339 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.5036 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.25 + pressure: &pres + - 16 atm + ignition-type: &ign + target: OH + type: max +datapoints: + - temperature: + - 1209 K + ignition-delay: + - 363 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1188 K + ignition-delay: + - 663.2 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1180 K + ignition-delay: + - 742.6 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1170 K + ignition-delay: + - 742.8 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1149 K + ignition-delay: + - 1030.3 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1146 K + ignition-delay: + - 1164.5 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1125 K + ignition-delay: + - 1415.7 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1105 K + ignition-delay: + - 1583.9 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1084 K + ignition-delay: + - 1983.7 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1068.5 K + ignition-delay: + - 2385.9 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1049 K + ignition-delay: + - 2727 us + composition: *comp + pressure: *pres + ignition-type: *ign + \ No newline at end of file diff --git a/Hydrogen/Wang_2003_ST_fig_10_p9.5.yaml b/Hydrogen/Wang_2003_ST_fig_10_p9.5.yaml new file mode 100644 index 0000000..044e4f9 --- /dev/null +++ b/Hydrogen/Wang_2003_ST_fig_10_p9.5.yaml @@ -0,0 +1,119 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/S0010-2180(02)00552-7 + authors: + - name: B.L. Wang + - name: H. Olivier + - name: H. Grönig + journal: Combustion and Flame + year: 2003 + volume: 133 + pages: 93-106 + detail: Fig. 10. -open circle [Converted from ReSpecTh XML file x10000025.xml] +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Shock Wave Laboratory, RWTH Aachen University, Germany + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1125 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.1339 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.5036 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.25 + pressure: &pres + - 9.5 atm + ignition-type: &ign + target: OH + type: max +datapoints: + - temperature: + - 1252 K + ignition-delay: + - 56.98 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1244 K + ignition-delay: + - 88.89 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1212 K + ignition-delay: + - 225.16 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1199 K + ignition-delay: + - 327.66 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1188 K + ignition-delay: + - 526.87 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1154 K + ignition-delay: + - 1232.4 us + composition: *comp + pressure: *pres + ignition-type: *ign + -temperature: + - 1146 K + ignition-delay: + - 1415.3 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1118 K + ignition-delay: + - 1253.7 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1122 K + ignition-delay: + - 1357.7 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1099 K + ignition-delay: + - 1252.8 us + composition: *comp + pressure: *pres + ignition-type: *ign + \ No newline at end of file diff --git a/Hydrogen/Wang_2003_ST_fig_6.yaml b/Hydrogen/Wang_2003_ST_fig_6.yaml new file mode 100644 index 0000000..0179f50 --- /dev/null +++ b/Hydrogen/Wang_2003_ST_fig_6.yaml @@ -0,0 +1,142 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/S0010-2180(02)00552-7 + authors: + - name: B.L. Wang + - name: H. Olivier + - name: H. Grönig + journal: Combustion and Flame + year: 2003 + volume: 133 + pages: 93-106 + detail: Fig. 6. -full circle [Converted from ReSpecTh XML file x10000022.xml] +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Shock Wave Laboratory, RWTH Aachen University, Germany + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.15 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.1785 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.6715 + pressure: &pres + - 4 atm + ignition-type: &ign + target: OH + type: max +datapoints: + - temperature: + - 1173 K + ignition-delay: + - 19.9 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1166 K + ignition-delay: + - 18 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1160 K + ignition-delay: + - 25.1 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1118 K + ignition-delay: + - 82.5 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1085 K + ignition-delay: + - 124.2 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1085 K + ignition-delay: + - 137.7 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1052 K + ignition-delay: + - 409.5 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1031 K + ignition-delay: + - 398.9 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1030 K + ignition-delay: + - 797.2 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1025 K + ignition-delay: + - 556.3 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1019 K + ignition-delay: + - 828.4 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1019 K + ignition-delay: + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 983 K + ignition-delay: + - 775.8 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 955 K + ignition-delay: + - 2163.2 us + composition: *comp + pressure: *pres + ignition-type: *ign + \ No newline at end of file diff --git a/Hydrogen/Wang_2003_ST_fig_7.yaml b/Hydrogen/Wang_2003_ST_fig_7.yaml new file mode 100644 index 0000000..b4e2ffd --- /dev/null +++ b/Hydrogen/Wang_2003_ST_fig_7.yaml @@ -0,0 +1,196 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/S0010-2180(02)00552-7 + authors: + - name: B.L. Wang + - name: H. Olivier + - name: H. Gronig + journal: Combustion and Flame + year: 2003 + volume: 133 + pages: 93-106 + detail: Fig. 7.- full triangle [Converted from ReSpecTh XML file x10000023.xml] +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Shock Wave Laboratory, RWTH Aachen University, Germany + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1275 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.1517 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.5708 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.15 + pressure: + - 4 atm + ignition-type: &ign + target: OH + type: max +datapoints: + - temperature: + - 1239 K + ignition-delay: + - 29.6 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1233 K + ignition-delay: + - 25.7 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1226 K + ignition-delay: + - 32.4 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1223 K + ignition-delay: + - 27.4 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1210 K + ignition-delay: + - 40.7 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1185 K + ignition-delay: + - 40.7 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1170 K + ignition-delay: + - 53.9 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1156 K + ignition-delay: + - 79.1 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1143 K + ignition-delay: + - 184.2 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1135 K + ignition-delay: + - 168.3 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1131 K + ignition-delay: + - 177.3 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1115 K + ignition-delay: + - 1053.1 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1113 K + ignition-delay: + - 1092.9 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1110 K + ignition-delay: + - 1227.6 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1103 K + ignition-delay: + - 1360 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1095 K + ignition-delay: + - 1164 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1083 K + ignition-delay: + - 972.3 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1080 K + ignition-delay: + - 1288.8 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1061 K + ignition-delay: + - 1685.8 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1036 K + ignition-delay: + - 1660.2 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1011 K + ignition-delay: + - 1332.6 us + composition: *comp + pressure: *pres + ignition-type: *ign + \ No newline at end of file diff --git a/Hydrogen/Wang_2003_ST_fig_8.yaml b/Hydrogen/Wang_2003_ST_fig_8.yaml new file mode 100644 index 0000000..8283b21 --- /dev/null +++ b/Hydrogen/Wang_2003_ST_fig_8.yaml @@ -0,0 +1,119 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/S0010-2180(02)00552-7 + authors: + - name: B.L. Wang + - name: H. Olivier + - name: H. Grönig + journal: Combustion and Flame + year: 2003 + volume: 133 + pages: 93-106 + detail: Fig. 8. -full square [Converted from ReSpecTh XML file x10000021_x.xml ] +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Shock Wave Laboratory, RWTH Aachen University, Germany + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.1125 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.1339 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.5036 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.25 + pressure: &pres + - 4 atm + ignition-type: &ign + target: OH + type: max +datapoints: + - temperature: + - 1272 K + ignition-delay: + - 36.4 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1254 K + ignition-delay: + - 89.3 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1230 K + ignition-delay: + - 136.2 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1196 K + ignition-delay: + - 268.3 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1160 K + ignition-delay: + - 709.2 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1134 K + ignition-delay: + - 1124.3 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1091 K + ignition-delay: + - 1732.9 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1075 K + ignition-delay: + - 1582.7 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1063 K + ignition-delay: + - 1483 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1051 K + ignition-delay: + - 2475.4 us + composition: *comp + pressure: *pres + ignition-type: *ign + \ No newline at end of file diff --git a/Hydrogen/Wang_2003_ST_fig_9.yaml b/Hydrogen/Wang_2003_ST_fig_9.yaml new file mode 100644 index 0000000..40a0697 --- /dev/null +++ b/Hydrogen/Wang_2003_ST_fig_9.yaml @@ -0,0 +1,133 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/S0010-2180(02)00552-7 + authors: + - name: B.L. Wang + - name: H. Olivier + - name: H. Grönig + journal: Combustion and Flame + year: 2003 + volume: 133 + pages: 93-106 + detail: Fig. 9. -full diamond [Converted from ReSpecTh XML file x10000024_x.xml] +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: Shock Wave Laboratory, RWTH Aachen University, Germany + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.09 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.1071 + - species-name: N2 + InChI: 1S/N2/c1-2 + amount: + - 0.4029 + - species-name: H2O + InChI: 1S/H2O/h1H2 + amount: + - 0.4 + pressure: &pres + - 4 atm + ignition-type: &ign + target: OH + type: max +datapoints: + - temperature: + - 1331 K + ignition-delay: + - 44.2 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1301 K + ignition-delay: + - 107.2 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1267 K + ignition-delay: + - 205.6 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1245 K + ignition-delay: + - 276 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1207 K + ignition-delay: + - 478.2 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1208 K + ignition-delay: + - 625.6 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1201 K + ignition-delay: + - 693.1 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1166 K + ignition-delay: + - 1365.6 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1152 K + ignition-delay: + - 1399.5 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1126 K + ignition-delay: + - 1693.6 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1101 K + ignition-delay: + - 1849 us + composition: *comp + pressure: *pres + ignition-type: *ign + - temperature: + - 1075.3 K + ignition-delay: + - 1775.4 us + composition: *comp + pressure: *pres + ignition-type: *ign + \ No newline at end of file diff --git a/Hydrogen/Zhang_Huang_2012_ST_mix6_phi_0.5.yaml b/Hydrogen/Zhang_Huang_2012_ST_mix6_phi_0.5.yaml new file mode 100644 index 0000000..96fa66e --- /dev/null +++ b/Hydrogen/Zhang_Huang_2012_ST_mix6_phi_0.5.yaml @@ -0,0 +1,466 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.combustflame.2011.09.010 + authors: + - name: Yingjia Zhang + - name: Zouhua Huang + - name: Liangjie Wei + - name: Jiaxiang Zhang + - name: Chung K. Law + journal: Combustion and Flame + year: 2012 + volume: 159 + pages: 918-931 + detail: Data obtained from correspondance with authors +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: State Key Laboratory of Multiphase Flow in Power Engineering, Xi'an Jiaotong University + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.03471 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.03471 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.93058 + pressure-rise: &pres-rise + - 0.04 1/ms + ignition-type: &ign + target: OH* + type: d/dt max +datapoints: + - temperature: + - 1195.0 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 22.0 us + - uncertainty-type: absolute + uncertainty: 28 us + pressure: + - 0.5 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1123.0 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 63.0 us + - uncertainty-type: absolute + uncertainty: 28 us + pressure: + - 0.51 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1051.0 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 284.0 us + - uncertainty-type: absolute + uncertainty: 28 us + pressure: + - 0.52 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1038.0 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 520.0 us + - uncertainty-type: absolute + uncertainty: 28 us + pressure: + - 0.52 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1033.0 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 849.0 us + - uncertainty-type: absolute + uncertainty: 28 us + pressure: + - 0.52 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1024.0 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 1260.0 us + - uncertainty-type: absolute + uncertainty: 28 us + pressure: + - 0.52 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1023.0 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 1514.0 us + - uncertainty-type: absolute + uncertainty: 28 us + pressure: + - 0.51 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1222.0 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 15.0 us + - uncertainty-type: absolute + uncertainty: 28 us + pressure: + - 1.01 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1122.0 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 93.0 us + - uncertainty-type: absolute + uncertainty: 28 us + pressure: + - 0.97 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1108.0 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 423.0 us + - uncertainty-type: absolute + uncertainty: 28 us + pressure: + - 0.94 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1090.0 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 745.0 us + - uncertainty-type: absolute + uncertainty: 28 us + pressure: + - 0.96 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1081.0 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 955.0 us + - uncertainty-type: absolute + uncertainty: 28 us + pressure: + - 0.96 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1077.0 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 1291.0 us + - uncertainty-type: absolute + uncertainty: 28 us + pressure: + - 1.0 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1076.0 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 1366.0 us + - uncertainty-type: absolute + uncertainty: 28 us + pressure: + - 0.99 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1065.0 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 1781.0 us + - uncertainty-type: absolute + uncertainty: 28 us + pressure: + - 0.93 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1067.0 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 1796.0 us + - uncertainty-type: absolute + uncertainty: 28 us + pressure: + - 0.93 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1056.0 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 2586.0 us + - uncertainty-type: absolute + uncertainty: 28 us + pressure: + - 0.94 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1036.0 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 2901.0 us + - uncertainty-type: absolute + uncertainty: 28 us + pressure: + - 0.88 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1043.0 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 3500.0 us + - uncertainty-type: absolute + uncertainty: 28 us + pressure: + - 0.94 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1041.0 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 3521.0 us + - uncertainty-type: absolute + uncertainty: 28 us + pressure: + - 0.93 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1269.0 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 10.0 us + - uncertainty-type: absolute + uncertainty: 28 us + pressure: + - 1.9 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1169.0 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 56.0 us + - uncertainty-type: absolute + uncertainty: 28 us + pressure: + - 1.9 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1135.0 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 291.0 us + - uncertainty-type: absolute + uncertainty: 28 us + pressure: + - 1.81 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1093.0 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 1010.0 us + - uncertainty-type: absolute + uncertainty: 28 us + pressure: + - 1.72 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1080.0 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 1135.0 us + - uncertainty-type: absolute + uncertainty: 28 us + pressure: + - 1.79 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1065.0 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 1976.0 us + - uncertainty-type: absolute + uncertainty: 28 us + pressure: + - 1.78 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1011.0 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 3066.0 us + - uncertainty-type: absolute + uncertainty: 28 us + pressure: + - 1.79 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1027.0 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 3186.0 us + - uncertainty-type: absolute + uncertainty: 28 us + pressure: + - 1.75 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1012.0 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 3966.0 us + - uncertainty-type: absolute + uncertainty: 28 us + pressure: + - 1.76 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 + - temperature: + - 1168.0 K + - uncertainty-type: absolute + uncertainty: 25 K + ignition-delay: + - 4152.0 us + - uncertainty-type: absolute + uncertainty: 28 us + pressure: + - 1.75 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 0.5 \ No newline at end of file diff --git a/Hydrogen/Zhang_Jiang_2012_ST_mix6_phi_1.yaml b/Hydrogen/Zhang_Jiang_2012_ST_mix6_phi_1.yaml new file mode 100644 index 0000000..f39cc61 --- /dev/null +++ b/Hydrogen/Zhang_Jiang_2012_ST_mix6_phi_1.yaml @@ -0,0 +1,148 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.09.056 + authors: + - name: Yingjia Zhang + - name: Xue Jiang + - name: Liangjie Wei + - name: Jiaxiang Zhang + - name: Chenglong Tang + - name: Zuohua Huang + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 19168-19176 + detail: Data obtained from correspondance with authors +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: State Key Laboratory of Multiphase Flow in Power and Engineering, Xi'an Jiaotong University + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.05915 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.02958 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.91127 + pressure-rise: &pres-rise + - 0.04 1/ms + ignition-type: &ign + target: OH* + type: d/dt max +datapoints: + - temperature: + - 942.0 K + ignition-delay: + - 3322.0 us + pressure: + - 1.72 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 934.0 K + ignition-delay: + - 3187.3 us + pressure: + - 1.72 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 928.0001782 K + ignition-delay: + - 2640.72 us + pressure: + - 1.69 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 983.0 K + ignition-delay: + - 1955.4 us + pressure: + - 1.82 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1006.0 K + ignition-delay: + - 1904.5 us + pressure: + - 1.82 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1006.0 K + ignition-delay: + - 1661.89 us + pressure: + - 1.74 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1021.0 K + ignition-delay: + - 1462.24 us + pressure: + - 1.7 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1034.0 K + ignition-delay: + - 1190.79 us + pressure: + - 1.71 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1090.0 K + ignition-delay: + - 426.47 us + pressure: + - 1.64 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + - temperature: + - 1158.0 K + ignition-delay: + - 25.0 us + pressure: + - 1.92 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 1.0 + diff --git a/Hydrogen/Zhang_Jiang_2012_ST_mix6_phi_2.yaml b/Hydrogen/Zhang_Jiang_2012_ST_mix6_phi_2.yaml new file mode 100644 index 0000000..4e68e60 --- /dev/null +++ b/Hydrogen/Zhang_Jiang_2012_ST_mix6_phi_2.yaml @@ -0,0 +1,148 @@ +--- +file-authors: + - name: Maria Politi + ORCID: 0000-0002-5815-3371 +file-version: 0 +chemked-version: 0.4.1 +reference: + doi: 10.1016/j.ijhydene.2012.09.056 + authors: + - name: Yingjia Zhang + - name: Xue Jiang + - name: Liangjie Wei + - name: Jiaxiang Zhang + - name: Chenglong Tang + - name: Zuohua Huang + journal: International Journal of Hydrogen Energy + year: 2012 + volume: 37 + pages: 19168-19176 + detail: Data obtained from correspondance with authors +experiment-type: ignition delay +apparatus: + kind: shock tube + institution: State Key Laboratory of Multiphase Flow in Power and Engineering, Xi'an Jiaotong University + facility: stainless steel shock tube +common-properties: + composition: &comp + kind: mole fraction + species: + - species-name: H2 + InChI: 1S/H2/h1H + amount: + - 0.09130 + - species-name: O2 + InChI: 1S/O2/c1-2 + amount: + - 0.02283 + - species-name: Ar + InChI: 1S/Ar + amount: + - 0.88587 + pressure-rise: &pres-rise + - 0.04 1/ms + ignition-type: &ign + target: OH* + type: d/dt max +datapoints: + - temperature: + - 971.0 K + ignition-delay: + - 3713.81 us + pressure: + - 1.87 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 998.0 K + ignition-delay: + - 3369.72 us + pressure: + - 1.88 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 964.0 K + ignition-delay: + - 2823.19 us + pressure: + - 1.82 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1065.0 K + ignition-delay: + - 1934.38 us + pressure: + - 1.76 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1041.0 K + ignition-delay: + - 1771.45 us + pressure: + - 1.85 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1074.0 K + ignition-delay: + - 1081.49 us + pressure: + - 1.86 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1096.0 K + ignition-delay: + - 613.15 us + pressure: + - 1.89 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1113.0 K + ignition-delay: + - 488.46 us + pressure: + - 1.92 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1131.0 K + ignition-delay: + - 102.52 us + pressure: + - 1.84 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 + - temperature: + - 1115.0 K + ignition-delay: + - 97.92 us + pressure: + - 1.89 MPa + composition: *comp + pressure-rise: *pres-rise + ignition-type: *ign + equivalence-ratio: 2.0 +