diff --git a/cime_config/tuvx_MOZART_TS1.json b/cime_config/tuvx_MOZART_TS1.json index 666cee23b7..e48df8c436 100644 --- a/cime_config/tuvx_MOZART_TS1.json +++ b/cime_config/tuvx_MOZART_TS1.json @@ -1,12 +1,10 @@ { "__description": "TUV-x configuration for the MOZART-TS1 and MOZART-TSMLT chemical mechanisms", - "O2 absorption" : { - "cross section parameters file": "data/cross_sections/O2_parameters.txt" + "O2 absorption": { + "cross section parameters file": "data/cross_sections/O2_parameters.txt" }, - "grids": [ - ], - "profiles": [ - ], + "grids": [], + "profiles": [], "radiative transfer": { "solver": { "type": "discrete ordinate", @@ -20,21 +18,33 @@ { "name": "O3", "netcdf files": [ - { "file path": "data/cross_sections/O3_1.nc" }, - { "file path": "data/cross_sections/O3_2.nc" }, - { "file path": "data/cross_sections/O3_3.nc" }, - { "file path": "data/cross_sections/O3_4.nc" } + { + "file path": "data/cross_sections/O3_1.nc" + }, + { + "file path": "data/cross_sections/O3_2.nc" + }, + { + "file path": "data/cross_sections/O3_3.nc" + }, + { + "file path": "data/cross_sections/O3_4.nc" + } ], "type": "O3" }, { "name": "O2", "netcdf files": [ - { - "file path": "data/cross_sections/O2_1.nc", - "lower extrapolation": { "type": "boundary" }, - "interpolator": { "type": "fractional target" } - } + { + "file path": "data/cross_sections/O2_1.nc", + "lower extrapolation": { + "type": "boundary" + }, + "interpolator": { + "type": "fractional target" + } + } ], "type": "base" } @@ -70,28 +80,32 @@ "name": "jo2_a", "__reaction": "O2 + hv -> O + O1D", "cross section": { - "netcdf files": [ - { - "file path": "data/cross_sections/O2_1.nc", - "lower extrapolation": { "type": "boundary" }, - "interpolator": { "type": "fractional target" } - } + "netcdf files": [ + { + "file path": "data/cross_sections/O2_1.nc", + "lower extrapolation": { + "type": "boundary" + }, + "interpolator": { + "type": "fractional target" + } + } ], "type": "base" }, "quantum yield": { - "type": "base", - "constant value": 0, - "override bands": [ - { - "band": "lyman-alpha", - "value": 0.53 - }, - { - "band": "schumann-runge continuum", - "value": 1.0 - } - ] + "type": "base", + "constant value": 0, + "override bands": [ + { + "band": "lyman-alpha", + "value": 0.53 + }, + { + "band": "schumann-runge continuum", + "value": 1.0 + } + ] } }, { @@ -99,11 +113,15 @@ "__reaction": "O2 + hv -> O + O", "cross section": { "netcdf files": [ - { - "file path": "data/cross_sections/O2_1.nc", - "lower extrapolation": { "type": "boundary" }, - "interpolator": { "type": "fractional target" } - } + { + "file path": "data/cross_sections/O2_1.nc", + "lower extrapolation": { + "type": "boundary" + }, + "interpolator": { + "type": "fractional target" + } + } ], "type": "base" }, @@ -111,14 +129,14 @@ "type": "base", "constant value": 1.0, "override bands": [ - { - "band": "lyman-alpha", - "value": 0.47 - }, - { - "band": "schumann-runge continuum", - "value": 0.0 - } + { + "band": "lyman-alpha", + "value": 0.47 + }, + { + "band": "schumann-runge continuum", + "value": 0.0 + } ] } }, @@ -127,10 +145,18 @@ "__reaction": "O3 + hv -> O2 + O(1D)", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/O3_1.nc" }, - { "file path": "data/cross_sections/O3_2.nc" }, - { "file path": "data/cross_sections/O3_3.nc" }, - { "file path": "data/cross_sections/O3_4.nc" } + { + "file path": "data/cross_sections/O3_1.nc" + }, + { + "file path": "data/cross_sections/O3_2.nc" + }, + { + "file path": "data/cross_sections/O3_3.nc" + }, + { + "file path": "data/cross_sections/O3_4.nc" + } ], "type": "O3" }, @@ -143,10 +169,18 @@ "__reaction": "O3 + hv -> O2 + O(3P)", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/O3_1.nc" }, - { "file path": "data/cross_sections/O3_2.nc" }, - { "file path": "data/cross_sections/O3_3.nc" }, - { "file path": "data/cross_sections/O3_4.nc" } + { + "file path": "data/cross_sections/O3_1.nc" + }, + { + "file path": "data/cross_sections/O3_2.nc" + }, + { + "file path": "data/cross_sections/O3_3.nc" + }, + { + "file path": "data/cross_sections/O3_4.nc" + } ], "type": "O3" }, @@ -170,14 +204,20 @@ "__reaction": "NO2 + hv -> NO + O(3P)", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/NO2_1.nc" } + { + "file path": "data/cross_sections/NO2_1.nc" + } ], "type": "NO2 tint" }, "quantum yield": { - "netcdf files": ["data/quantum_yields/NO2_1.nc"], + "netcdf files": [ + "data/quantum_yields/NO2_1.nc" + ], "type": "NO2 tint", - "lower extrapolation": { "type": "boundary" } + "lower extrapolation": { + "type": "boundary" + } } }, { @@ -185,14 +225,20 @@ "__reaction": "N2O5 + hv -> NO2 + NO3", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/N2O5_1.nc" }, - { "file path": "data/cross_sections/N2O5_2.nc" } + { + "file path": "data/cross_sections/N2O5_1.nc" + }, + { + "file path": "data/cross_sections/N2O5_2.nc" + } ], "type": "N2O5+hv->NO2+NO3" }, "quantum yield": { "type": "base", - "netcdf files": [ "data/quantum_yields/N2O5_NO3_NO2.nc" ] + "netcdf files": [ + "data/quantum_yields/N2O5_NO3_NO2.nc" + ] } }, { @@ -200,14 +246,20 @@ "__reaction": "N2O5 + hv -> NO + O + NO3", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/N2O5_1.nc" }, - { "file path": "data/cross_sections/N2O5_2.nc" } + { + "file path": "data/cross_sections/N2O5_1.nc" + }, + { + "file path": "data/cross_sections/N2O5_2.nc" + } ], "type": "N2O5+hv->NO2+NO3" }, "quantum yield": { "type": "base", - "netcdf files": [ "data/quantum_yields/N2O5_NO3_NO_O.nc" ] + "netcdf files": [ + "data/quantum_yields/N2O5_NO3_NO_O.nc" + ] } }, { @@ -215,7 +267,9 @@ "__reaction": "HNO3 + hv -> OH + NO2", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/HNO3_1.nc" } + { + "file path": "data/cross_sections/HNO3_1.nc" + } ], "type": "HNO3+hv->OH+NO2" }, @@ -229,7 +283,9 @@ "__reaction": "NO3 + hv -> NO2 + O(3P)", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/NO3_1.nc" } + { + "file path": "data/cross_sections/NO3_1.nc" + } ], "type": "base" }, @@ -249,7 +305,9 @@ "__reaction": "NO3 + hv -> NO + O2", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/NO3_1.nc" } + { + "file path": "data/cross_sections/NO3_1.nc" + } ], "type": "base" }, @@ -265,7 +323,9 @@ "__reaction": "CH3OOH + hv -> CH3O + OH", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/CH3OOH_1.nc" } + { + "file path": "data/cross_sections/CH3OOH_1.nc" + } ], "type": "base" }, @@ -279,7 +339,9 @@ "__reaction": "CH2O + hv -> H + HCO", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/CH2O_1.nc" } + { + "file path": "data/cross_sections/CH2O_1.nc" + } ], "type": "CH2O" }, @@ -298,7 +360,9 @@ "__reaction": "CH2O + hv -> H2 + CO", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/CH2O_1.nc" } + { + "file path": "data/cross_sections/CH2O_1.nc" + } ], "type": "CH2O" }, @@ -317,7 +381,9 @@ "__reaction": "H2O2 + hv -> OH + OH", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/H2O2_1.nc" } + { + "file path": "data/cross_sections/H2O2_1.nc" + } ], "type": "H2O2+hv->OH+OH" }, @@ -331,7 +397,9 @@ "__reaction": "CH3CHO + hv -> CH3 + HCO", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/CH3CHO_1.nc" } + { + "file path": "data/cross_sections/CH3CHO_1.nc" + } ], "type": "base" }, @@ -347,7 +415,9 @@ "__reaction": "PAN + hv -> 0.6*CH3CO3 + 0.6*NO2 + 0.4*CH3O2 + 0.4*NO3 + 0.4*CO2", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/PAN_1.nc" } + { + "file path": "data/cross_sections/PAN_1.nc" + } ], "type": "CH3ONO2+hv->CH3O+NO2" }, @@ -361,7 +431,9 @@ "__reaction": "MVK + hv -> 0.7*C3H6 + 0.7*CO + 0.3*CH3O2 + 0.3*CH3CO3", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/MVK_1.nc" } + { + "file path": "data/cross_sections/MVK_1.nc" + } ], "type": "base" }, @@ -374,7 +446,9 @@ "__reaction": "CH3COCH3 + hv -> CH3CO + CH3", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/CH3COCH3_1.nc" } + { + "file path": "data/cross_sections/CH3COCH3_1.nc" + } ], "type": "CH3COCH3+hv->CH3CO+CH3" }, @@ -387,7 +461,9 @@ "__reaction": "CH3COCHO + hv -> CH3CO3 + CO + HO2", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/CH3COCHO_1.nc" } + { + "file path": "data/cross_sections/CH3COCHO_1.nc" + } ], "type": "base" }, @@ -400,7 +476,9 @@ "__reaction": "GLYALD + hv -> 2*HO2 + CO + CH2O", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/HOCH2CHO_1.nc" } + { + "file path": "data/cross_sections/HOCH2CHO_1.nc" + } ], "type": "base" }, @@ -415,7 +493,9 @@ "__comments": "TODO the products of this reaction don't exactly match", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/CHOCHO_1.nc" } + { + "file path": "data/cross_sections/CHOCHO_1.nc" + } ], "type": "base" }, @@ -434,7 +514,9 @@ "__reaction": "BrCl + hv -> Br + Cl", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/BrCl_1.nc" } + { + "file path": "data/cross_sections/BrCl_1.nc" + } ], "type": "base" }, @@ -448,13 +530,13 @@ "__reaction": "BrO + hv -> Br + O", "cross section": { "netcdf files": [ - { - "file path": "data/cross_sections/BrO_1.nc", - "interpolator": { - "type": "fractional target", - "fold in": true - } - } + { + "file path": "data/cross_sections/BrO_1.nc", + "interpolator": { + "type": "fractional target", + "fold in": true + } + } ], "type": "base" }, @@ -468,7 +550,9 @@ "__reaction": "BrONO2 + hv -> Br + NO3", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/BrONO2_1.nc" } + { + "file path": "data/cross_sections/BrONO2_1.nc" + } ], "type": "base" }, @@ -482,7 +566,9 @@ "__reaction": "BrONO2 + hv -> BrO + NO2", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/BrONO2_1.nc" } + { + "file path": "data/cross_sections/BrONO2_1.nc" + } ], "type": "base" }, @@ -496,7 +582,9 @@ "__reaction": "CCl4 + hv -> Products", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/CCl4_1.nc" } + { + "file path": "data/cross_sections/CCl4_1.nc" + } ], "type": "CCl4+hv->Products" }, @@ -510,7 +598,9 @@ "__reaction": "CF2BrCl + hv -> Products", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/CF2BrCl_1.nc" } + { + "file path": "data/cross_sections/CF2BrCl_1.nc" + } ], "type": "base" }, @@ -524,7 +614,9 @@ "__reaction": "CF3Br + hv -> Products", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/CF3Br_1.nc" } + { + "file path": "data/cross_sections/CF3Br_1.nc" + } ], "type": "base" }, @@ -538,7 +630,9 @@ "__reaction": "CCl3F + hv -> Products", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/CFC-11_1.nc" } + { + "file path": "data/cross_sections/CFC-11_1.nc" + } ], "type": "CCl3F+hv->Products" }, @@ -552,7 +646,9 @@ "__reaction": "CFC-113 + hv -> Products", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/CFC-113_1.nc" } + { + "file path": "data/cross_sections/CFC-113_1.nc" + } ], "type": "tint" }, @@ -566,7 +662,9 @@ "__reaction": "CFC-114 + hv -> Products", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/CFC-114_1.nc" } + { + "file path": "data/cross_sections/CFC-114_1.nc" + } ], "type": "tint" }, @@ -580,7 +678,9 @@ "__reaction": "CFC-115 + hv -> Products", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/CFC-115_1.nc" } + { + "file path": "data/cross_sections/CFC-115_1.nc" + } ], "type": "base" }, @@ -594,7 +694,9 @@ "__reaction": "CCl2F2 + hv -> Products", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/CFC-12_1.nc" } + { + "file path": "data/cross_sections/CFC-12_1.nc" + } ], "type": "CCl3F+hv->Products" }, @@ -610,9 +712,27 @@ "type": "temperature based", "netcdf file": "data/cross_sections/CH2BR2_1.nc", "parameterization": { - "AA": [ -70.211776, 1.940326e-1, 2.726152e-3, -1.695472e-5, 2.500066e-8 ], - "BB": [ 2.899280, -4.327724e-2, 2.391599e-4, -5.807506e-7, 5.244883e-10 ], - "lp": [ 0.0, 1.0, 2.0, 3.0, 4.0 ], + "AA": [ + -70.211776, + 1.940326e-1, + 2.726152e-3, + -1.695472e-5, + 2.500066e-8 + ], + "BB": [ + 2.899280, + -4.327724e-2, + 2.391599e-4, + -5.807506e-7, + 5.244883e-10 + ], + "lp": [ + 0.0, + 1.0, + 2.0, + 3.0, + 4.0 + ], "minimum wavelength": 210.0, "maximum wavelength": 290.0, "temperature ranges": [ @@ -641,7 +761,9 @@ "__reaction": "CH3Br + hv -> Products", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/CH3Br_1.nc" } + { + "file path": "data/cross_sections/CH3Br_1.nc" + } ], "type": "base" }, @@ -655,7 +777,9 @@ "__reaction": "CH3CCl3+hv->Products", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/CH3CCl3_1.nc" } + { + "file path": "data/cross_sections/CH3CCl3_1.nc" + } ], "type": "tint" }, @@ -669,7 +793,9 @@ "__reaction": "CH3Cl + hv -> Products", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/CH3Cl_1.nc" } + { + "file path": "data/cross_sections/CH3Cl_1.nc" + } ], "type": "tint" }, @@ -683,7 +809,9 @@ "__reaction": "CHBr3 + hv -> Products", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/CHBr3_1.nc" } + { + "file path": "data/cross_sections/CHBr3_1.nc" + } ], "type": "CHBr3+hv->Products", "lower extrapolation": { @@ -712,7 +840,9 @@ "__comments": "TODO - this doesn't exactly match the products in TS1", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/ClOOCl_1.nc" } + { + "file path": "data/cross_sections/ClOOCl_1.nc" + } ], "type": "base" }, @@ -726,7 +856,9 @@ "__reaction": "ClO + hv -> Cl + O(1D)", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/ClO_1.nc" } + { + "file path": "data/cross_sections/ClO_1.nc" + } ], "type": "tint" }, @@ -739,7 +871,9 @@ "__reaction": "ClONO2 + hv -> Cl + NO3", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/ClONO2_1.nc" } + { + "file path": "data/cross_sections/ClONO2_1.nc" + } ], "type": "ClONO2" }, @@ -752,7 +886,9 @@ "__reaction": "ClONO2 + hv -> ClO + NO2", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/ClONO2_1.nc" } + { + "file path": "data/cross_sections/ClONO2_1.nc" + } ], "type": "ClONO2" }, @@ -765,7 +901,9 @@ "__reaction": "CF2O + hv -> Products", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/CF2O_1.nc" } + { + "file path": "data/cross_sections/CF2O_1.nc" + } ], "type": "base" }, @@ -779,7 +917,9 @@ "__reaction": "CClFO + hv -> Products", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/CClFO_1.nc" } + { + "file path": "data/cross_sections/CClFO_1.nc" + } ], "type": "base" }, @@ -794,7 +934,9 @@ "__comments": "TUV data set name CF2BrCF2Br", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/CF2BrCF2Br_1.nc" } + { + "file path": "data/cross_sections/CF2BrCF2Br_1.nc" + } ], "type": "base" }, @@ -808,7 +950,9 @@ "__reaction": "HCFC-141b + hv -> Products", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/CH3CFCl2_1.nc" } + { + "file path": "data/cross_sections/CH3CFCl2_1.nc" + } ], "type": "base" }, @@ -822,7 +966,9 @@ "__reaction": "HCFC-142b + hv -> Products", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/CH3CF2Cl_1.nc" } + { + "file path": "data/cross_sections/CH3CF2Cl_1.nc" + } ], "type": "HCFC+hv->Products" }, @@ -836,7 +982,9 @@ "__reaction": "HCFC-22 + hv -> Products", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/CHClF2_1.nc" } + { + "file path": "data/cross_sections/CHClF2_1.nc" + } ], "type": "tint" }, @@ -850,7 +998,9 @@ "__reaction": "HCl + hv -> H + Cl", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/HCl_1.nc" } + { + "file path": "data/cross_sections/HCl_1.nc" + } ], "type": "base" }, @@ -875,7 +1025,9 @@ "__reaction": "HOCl + hv -> HO + Cl", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/HOCl_1.nc" } + { + "file path": "data/cross_sections/HOCl_1.nc" + } ], "type": "base" }, @@ -889,9 +1041,15 @@ "__reaction": "OClO + hv -> Products", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/OClO_1.nc" }, - { "file path": "data/cross_sections/OClO_2.nc" }, - { "file path": "data/cross_sections/OClO_3.nc" } + { + "file path": "data/cross_sections/OClO_1.nc" + }, + { + "file path": "data/cross_sections/OClO_2.nc" + }, + { + "file path": "data/cross_sections/OClO_3.nc" + } ], "type": "OClO+hv->Products" }, @@ -906,7 +1064,9 @@ "__comments": "TODO Doug's data sets have special temperature dependence - need new type?", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/HNO4_1.nc" } + { + "file path": "data/cross_sections/HNO4_1.nc" + } ], "type": "base" }, @@ -921,7 +1081,9 @@ "__comments": "TODO Doug's data sets have special temperature dependence - need new type?", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/HNO4_1.nc" } + { + "file path": "data/cross_sections/HNO4_1.nc" + } ], "type": "base" }, @@ -936,7 +1098,9 @@ "__comments": "Methacrolein photolysis channel 1", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/Methacrolein_1.nc" } + { + "file path": "data/cross_sections/Methacrolein_1.nc" + } ], "type": "base" }, @@ -951,7 +1115,9 @@ "__comments": "Methacrolein photolysis channel 2", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/Methacrolein_1.nc" } + { + "file path": "data/cross_sections/Methacrolein_1.nc" + } ], "type": "base" }, @@ -966,7 +1132,9 @@ "__comments": "hydroxy acetone TODO: the products of this reaction differ from standalone TUV-x", "cross section": { "netcdf files": [ - { "file path": "data/cross_sections/Hydroxyacetone_1.nc" } + { + "file path": "data/cross_sections/Hydroxyacetone_1.nc" + } ], "type": "base" }, @@ -997,9 +1165,11 @@ } ] }, - "quantum yield" : { + "quantum yield": { "type": "base", - "netcdf files": [ "data/quantum_yields/H2O_H_OH.nc" ] + "netcdf files": [ + "data/quantum_yields/H2O_H_OH.nc" + ] } }, { @@ -1024,9 +1194,11 @@ } ] }, - "quantum yield" : { + "quantum yield": { "type": "base", - "netcdf files": [ "data/quantum_yields/H2O_H2_O1D.nc" ] + "netcdf files": [ + "data/quantum_yields/H2O_H2_O1D.nc" + ] } }, { @@ -1051,9 +1223,11 @@ } ] }, - "quantum yield" : { + "quantum yield": { "type": "base", - "netcdf files": [ "data/quantum_yields/H2O_2H_O3P.nc" ] + "netcdf files": [ + "data/quantum_yields/H2O_2H_O3P.nc" + ] } }, { @@ -1062,7 +1236,9 @@ "cross section": { "type": "base", "netcdf files": [ - { "file path": "data/cross_sections/CH4_1.nc" } + { + "file path": "data/cross_sections/CH4_1.nc" + } ] }, "quantum yield": { @@ -1076,7 +1252,9 @@ "cross section": { "type": "base", "netcdf files": [ - { "file path": "data/cross_sections/CH4_1.nc" } + { + "file path": "data/cross_sections/CH4_1.nc" + } ] }, "quantum yield": { @@ -1090,7 +1268,9 @@ "cross section": { "type": "base", "netcdf files": [ - { "file path": "data/cross_sections/CO2_1.nc" } + { + "file path": "data/cross_sections/CO2_1.nc" + } ] }, "quantum yield": { @@ -1104,7 +1284,9 @@ "cross section": { "type": "base", "netcdf files": [ - { "file path": "data/cross_sections/HBr_1.nc" } + { + "file path": "data/cross_sections/HBr_1.nc" + } ] }, "quantum yield": { @@ -1118,7 +1300,9 @@ "cross section": { "type": "base", "netcdf files": [ - { "file path": "data/cross_sections/HF_1.nc" } + { + "file path": "data/cross_sections/HF_1.nc" + } ] }, "quantum yield": { @@ -1132,7 +1316,9 @@ "cross section": { "type": "base", "netcdf files": [ - { "file path": "data/cross_sections/SF6_1.nc" } + { + "file path": "data/cross_sections/SF6_1.nc" + } ] }, "quantum yield": { @@ -1146,7 +1332,9 @@ "cross section": { "type": "base", "netcdf files": [ - { "file path": "data/cross_sections/H2SO4_1.nc" } + { + "file path": "data/cross_sections/H2SO4_1.nc" + } ] }, "quantum yield": { @@ -1160,7 +1348,9 @@ "cross section": { "type": "base", "netcdf files": [ - { "file path": "data/cross_sections/OCS_1.nc" } + { + "file path": "data/cross_sections/OCS_1.nc" + } ] }, "quantum yield": { @@ -1174,7 +1364,9 @@ "cross section": { "type": "base", "netcdf files": [ - { "file path": "data/cross_sections/SO_1.nc" } + { + "file path": "data/cross_sections/SO_1.nc" + } ] }, "quantum yield": { @@ -1188,7 +1380,9 @@ "cross section": { "type": "base", "netcdf files": [ - { "file path": "data/cross_sections/SO2_1.nc" } + { + "file path": "data/cross_sections/SO2_1.nc" + } ] }, "quantum yield": { @@ -1202,7 +1396,9 @@ "cross section": { "type": "base", "netcdf files": [ - { "file path": "data/cross_sections/SO3_1.nc" } + { + "file path": "data/cross_sections/SO3_1.nc" + } ] }, "quantum yield": { @@ -1213,274 +1409,276 @@ ] }, "__CAM options": { - "aliasing": { - "default matching": "backup", - "pairs": [ - { - "to": "jalknit", - "__reaction": "ALKNIT + hv -> NO2 + 0.4*CH3CHO + 0.1*CH2O + 0.25*CH3COCH3 + HO2 + 0.8*MEK", - "from": "jch3ooh" - }, - { - "to": "jpooh", - "__reaction": "POOH (C3H6OHOOH) + hv -> CH3CHO + CH2O + HO2 + OH", - "from": "jch3ooh" - }, - { - "to": "jch3co3h", - "__reaction": "CH3COOOH + hv -> CH3O2 + OH + CO2", - "from": "jh2o2", - "scale by": 0.28 - }, - { - "to": "jmpan", - "__reaction": "MPAN + hv -> MCO3 + NO2", - "from": "jpan" - }, - { - "to": "jc2h5ooh", - "__reaction": "C2H5OOH + hv -> CH3CHO + HO2 + OH", - "from": "jch3ooh" - }, - { - "to": "jc3h7ooh", - "__reaction": "C3H7OOH + hv -> 0.82*CH3COCH3 + OH + HO2", - "from": "jch3ooh" - }, - { - "to": "jc6h5ooh", - "__reaction": "C6H5OOH + hv -> PHENO + OH", - "from": "jch3ooh" - }, - { - "to": "jeooh", - "__reaction": "EOOH + hv -> EO + OH", - "from": "jch3ooh" - }, - { - "to": "jrooh", - "__reaction": "ROOH + hv -> CH3CO3 + CH2O + OH", - "from": "jch3ooh" - }, - { - "to": "jxooh", - "__reaction": "XOOH + hv -> OH", - "from": "jch3ooh" - }, - { - "to": "jonitr", - "__reaction": "ONITR + hv -> NO2", - "from": "jch3cho" - }, - { - "to": "jisopooh", - "__reaction": "ISOPOOH + hv -> 0.402*MVK + 0.288*MACR + 0.69*CH2O + HO2", - "from": "jch3ooh" - }, - { - "to": "jmek", - "__reaction": "MEK + hv -> CH3CO3 + C2H5O2", - "from": "jacet" - }, - { - "to": "jalkooh", - "__reaction": "ALKOOH + hv -> .4*CH3CHO + .1*CH2O + .25*CH3COCH3 + .9*HO2 + .8*MEK + OH", - "from": "jch3ooh" - }, - { - "to": "jbenzooh", - "__reaction": "BENZOOH + hv -> OH + GLYOXAL + 0.5*BIGALD1 + HO2", - "from": "jch3ooh" - }, - { - "to": "jbepomuc", - "__reaction": "BEPOMUC + hv -> BIGALD1 + 1.5*HO2 + 1.5*CO", - "from": "jno2", - "scale by": 0.1 - }, - { - "to": "jbigald", - "__reaction": "BIGALD + hv -> 0.45*CO + 0.13*GLYOXAL + 0.56*HO2 + 0.13*CH3CO3 + 0.18*CH3COCHO", - "from": "jno2", - "scale by": 0.2 - }, - { - "to": "jbigald1", - "__reaction": "BIGALD1 + hv -> 0.6*MALO2 + HO2", - "from": "jno2", - "scale by": 0.14 - }, - { - "to": "jbigald2", - "__reaction": "BIGALD2 + hv -> 0.6*HO2 + 0.6*DICARBO2", - "from": "jno2", - "scale by": 0.2 - }, - { - "to": "jbigald3", - "__reaction": "BIGALD3 + hv -> 0.6*HO2 + 0.6*CO + 0.6*MDIALO2", - "from": "jno2", - "scale by": 0.2 - }, - { - "to": "jbigald4", - "__reaction": "BIGALD4 + hv -> HO2 + CO + CH3COCHO + CH3CO3", - "from": "jno2", - "scale by": 0.006 - }, - { - "to": "jbzooh", - "__reaction": "BZOOH + hv -> BZALD + OH + HO2", - "from": "jch3ooh" - }, - { - "to": "jmekooh", - "__reaction": "MEKOOH + hv -> OH + CH3CO3 + CH3CHO", - "from": "jch3ooh" - }, - { - "to": "jtolooh", - "__reaction": "TOLOOH + hv -> OH + .45*GLYOXAL + .45*CH3COCHO + .9*BIGALD", - "from": "jch3ooh" - }, - { - "to": "jterpooh", - "__reaction": "TERPOOH + hv -> OH + .1*CH3COCH3 + HO2 + MVK + MACR", - "from": "jch3ooh" - }, - { - "to": "jhonitr", - "__reaction": "HONITR + hv -> NO2 + 0.67*HO2 + 0.33*CH3CHO + 0.33*CH2O + 0.33*CO + 0.33*GLYALD + 0.33*CH3CO3 + 0.17*HYAC + 0.17*CH3COCH3", - "from": "jch2o_a" - }, - { - "to": "jhpald", - "__reaction": "HPALD + hv -> BIGALD3 + OH + HO2", - "from": "jno2", - "scale by": 0.006 - }, - { - "to": "jisopnooh", - "__reaction": "ISOPNOOH + hv -> NO2 + HO2 + ISOPOOH", - "from": "jch3ooh" - }, - { - "to": "jnc4cho", - "__reaction": "NC4CHO + hv -> BIGALD3 + NO2 + HO2", - "from": "jch2o_a" - }, - { - "to": "jnoa", - "__reaction": "NOA + hv -> NO2 + CH2O + CH3CO3", - "from": "jch2o_a" - }, - { - "to": "jnterpooh", - "__reaction": "NTERPOOH + hv -> TERPROD1 + NO2 + OH", - "from": "jch3ooh" - }, - { - "to": "jphenooh", - "__reaction": "PHENOOH + hv -> OH + HO2 + 0.7*GLYOXAL", - "from": "jch3ooh" - }, - { - "to": "jtepomuc", - "__reaction": "TEPOMUC + hv -> 0.5*CH3CO3 + HO2 + 1.5*CO", - "from": "jno2", - "scale by": 0.1 - }, - { - "to": "jterp2ooh", - "__reaction": "TERP2OOH + hv -> OH + 0.375*CH2O + 0.3*CH3COCH3 + 0.25*CO + CO2 + TERPROD2 + HO2 + 0.25*GLYALD", - "from": "jch3ooh" - }, - { - "to": "jterpnit", - "__reaction": "TERPNIT + hv -> TERPROD1 + NO2 + HO2", - "from": "jch3ooh" - }, - { - "to": "jterprd1", - "__reaction": "TERPROD1 + hv -> HO2 + CO + TERPROD2", - "from": "jch3cho" - }, - { - "to": "jterprd2", - "__reaction": "TERPROD2 + hv -> 0.15*RO2 + 0.68*CH2O + 0.8*CO2 + 0.5*CH3COCH3 + 0.65*CH3CO3 + 1.2*HO2 + 1.7*CO", - "from": "jch3cho" - }, - { - "to": "jxylenooh", - "__reaction": "XYLENOOH + hv -> OH + HO2 + 0.34*GLYOXAL + 0.54*CH3COCHO + 0.06*BIGALD1 + 0.2*BIGALD2 + 0.15*BIGALD3 + 0.21*BIGALD4", - "from": "jch3ooh" - }, - { - "to": "jxylolooh", - "__reaction": "XYLOLOOH + hv -> OH + 0.17*GLYOXAL + 0.51*CH3COCHO + HO2", - "from": "jch3ooh" - }, - { - "to": "jsoa1_a1", - "__reaction": "soa1_a1 + hv -> Products", - "from": "jno2", - "scale by": 0.0004 - }, - { - "to": "jsoa1_a2", - "__reaction": "soa1_a2 + hv -> Products", - "from": "jno2", - "scale by": 0.0004 - }, - { - "to": "jsoa2_a1", - "__reaction": "soa2_a1 + hv -> Products", - "from": "jno2", - "scale by": 0.0004 - }, - { - "to": "jsoa2_a2", - "__reaction": "soa2_a2 + hv -> Products", - "from": "jno2", - "scale by": 0.0004 - }, - { - "to": "jsoa3_a1", - "__reaction": "soa3_a1 + hv -> Products", - "from": "jno2", - "scale by": 0.0004 - }, - { - "to": "jsoa3_a2", - "__reaction": "soa3_a2 + hv -> Products", - "from": "jno2", - "scale by": 0.0004 - }, - { - "to": "jsoa4_a1", - "__reaction": "soa4_a1 + hv -> Products", - "from": "jno2", - "scale by": 0.0004 - }, - { - "to": "jsoa4_a2", - "__reaction": "soa4_a2 + hv -> Products", - "from": "jno2", - "scale by": 0.0004 - }, - { - "to": "jsoa5_a1", - "__reaction": "soa5_a1 + hv -> Products", - "from": "jno2", - "scale by": 0.0004 - }, - { - "to": "jsoa5_a2", - "__reaction": "soa5_a2 + hv -> Products", - "from": "jno2", - "scale by": 0.0004 - } - ] - } + "disable aerosols": true, + "disable clouds": true, + "aliasing": { + "default matching": "backup", + "pairs": [ + { + "to": "jalknit", + "__reaction": "ALKNIT + hv -> NO2 + 0.4*CH3CHO + 0.1*CH2O + 0.25*CH3COCH3 + HO2 + 0.8*MEK", + "from": "jch3ooh" + }, + { + "to": "jpooh", + "__reaction": "POOH (C3H6OHOOH) + hv -> CH3CHO + CH2O + HO2 + OH", + "from": "jch3ooh" + }, + { + "to": "jch3co3h", + "__reaction": "CH3COOOH + hv -> CH3O2 + OH + CO2", + "from": "jh2o2", + "scale by": 0.28 + }, + { + "to": "jmpan", + "__reaction": "MPAN + hv -> MCO3 + NO2", + "from": "jpan" + }, + { + "to": "jc2h5ooh", + "__reaction": "C2H5OOH + hv -> CH3CHO + HO2 + OH", + "from": "jch3ooh" + }, + { + "to": "jc3h7ooh", + "__reaction": "C3H7OOH + hv -> 0.82*CH3COCH3 + OH + HO2", + "from": "jch3ooh" + }, + { + "to": "jc6h5ooh", + "__reaction": "C6H5OOH + hv -> PHENO + OH", + "from": "jch3ooh" + }, + { + "to": "jeooh", + "__reaction": "EOOH + hv -> EO + OH", + "from": "jch3ooh" + }, + { + "to": "jrooh", + "__reaction": "ROOH + hv -> CH3CO3 + CH2O + OH", + "from": "jch3ooh" + }, + { + "to": "jxooh", + "__reaction": "XOOH + hv -> OH", + "from": "jch3ooh" + }, + { + "to": "jonitr", + "__reaction": "ONITR + hv -> NO2", + "from": "jch3cho" + }, + { + "to": "jisopooh", + "__reaction": "ISOPOOH + hv -> 0.402*MVK + 0.288*MACR + 0.69*CH2O + HO2", + "from": "jch3ooh" + }, + { + "to": "jmek", + "__reaction": "MEK + hv -> CH3CO3 + C2H5O2", + "from": "jacet" + }, + { + "to": "jalkooh", + "__reaction": "ALKOOH + hv -> .4*CH3CHO + .1*CH2O + .25*CH3COCH3 + .9*HO2 + .8*MEK + OH", + "from": "jch3ooh" + }, + { + "to": "jbenzooh", + "__reaction": "BENZOOH + hv -> OH + GLYOXAL + 0.5*BIGALD1 + HO2", + "from": "jch3ooh" + }, + { + "to": "jbepomuc", + "__reaction": "BEPOMUC + hv -> BIGALD1 + 1.5*HO2 + 1.5*CO", + "from": "jno2", + "scale by": 0.1 + }, + { + "to": "jbigald", + "__reaction": "BIGALD + hv -> 0.45*CO + 0.13*GLYOXAL + 0.56*HO2 + 0.13*CH3CO3 + 0.18*CH3COCHO", + "from": "jno2", + "scale by": 0.2 + }, + { + "to": "jbigald1", + "__reaction": "BIGALD1 + hv -> 0.6*MALO2 + HO2", + "from": "jno2", + "scale by": 0.14 + }, + { + "to": "jbigald2", + "__reaction": "BIGALD2 + hv -> 0.6*HO2 + 0.6*DICARBO2", + "from": "jno2", + "scale by": 0.2 + }, + { + "to": "jbigald3", + "__reaction": "BIGALD3 + hv -> 0.6*HO2 + 0.6*CO + 0.6*MDIALO2", + "from": "jno2", + "scale by": 0.2 + }, + { + "to": "jbigald4", + "__reaction": "BIGALD4 + hv -> HO2 + CO + CH3COCHO + CH3CO3", + "from": "jno2", + "scale by": 0.006 + }, + { + "to": "jbzooh", + "__reaction": "BZOOH + hv -> BZALD + OH + HO2", + "from": "jch3ooh" + }, + { + "to": "jmekooh", + "__reaction": "MEKOOH + hv -> OH + CH3CO3 + CH3CHO", + "from": "jch3ooh" + }, + { + "to": "jtolooh", + "__reaction": "TOLOOH + hv -> OH + .45*GLYOXAL + .45*CH3COCHO + .9*BIGALD", + "from": "jch3ooh" + }, + { + "to": "jterpooh", + "__reaction": "TERPOOH + hv -> OH + .1*CH3COCH3 + HO2 + MVK + MACR", + "from": "jch3ooh" + }, + { + "to": "jhonitr", + "__reaction": "HONITR + hv -> NO2 + 0.67*HO2 + 0.33*CH3CHO + 0.33*CH2O + 0.33*CO + 0.33*GLYALD + 0.33*CH3CO3 + 0.17*HYAC + 0.17*CH3COCH3", + "from": "jch2o_a" + }, + { + "to": "jhpald", + "__reaction": "HPALD + hv -> BIGALD3 + OH + HO2", + "from": "jno2", + "scale by": 0.006 + }, + { + "to": "jisopnooh", + "__reaction": "ISOPNOOH + hv -> NO2 + HO2 + ISOPOOH", + "from": "jch3ooh" + }, + { + "to": "jnc4cho", + "__reaction": "NC4CHO + hv -> BIGALD3 + NO2 + HO2", + "from": "jch2o_a" + }, + { + "to": "jnoa", + "__reaction": "NOA + hv -> NO2 + CH2O + CH3CO3", + "from": "jch2o_a" + }, + { + "to": "jnterpooh", + "__reaction": "NTERPOOH + hv -> TERPROD1 + NO2 + OH", + "from": "jch3ooh" + }, + { + "to": "jphenooh", + "__reaction": "PHENOOH + hv -> OH + HO2 + 0.7*GLYOXAL", + "from": "jch3ooh" + }, + { + "to": "jtepomuc", + "__reaction": "TEPOMUC + hv -> 0.5*CH3CO3 + HO2 + 1.5*CO", + "from": "jno2", + "scale by": 0.1 + }, + { + "to": "jterp2ooh", + "__reaction": "TERP2OOH + hv -> OH + 0.375*CH2O + 0.3*CH3COCH3 + 0.25*CO + CO2 + TERPROD2 + HO2 + 0.25*GLYALD", + "from": "jch3ooh" + }, + { + "to": "jterpnit", + "__reaction": "TERPNIT + hv -> TERPROD1 + NO2 + HO2", + "from": "jch3ooh" + }, + { + "to": "jterprd1", + "__reaction": "TERPROD1 + hv -> HO2 + CO + TERPROD2", + "from": "jch3cho" + }, + { + "to": "jterprd2", + "__reaction": "TERPROD2 + hv -> 0.15*RO2 + 0.68*CH2O + 0.8*CO2 + 0.5*CH3COCH3 + 0.65*CH3CO3 + 1.2*HO2 + 1.7*CO", + "from": "jch3cho" + }, + { + "to": "jxylenooh", + "__reaction": "XYLENOOH + hv -> OH + HO2 + 0.34*GLYOXAL + 0.54*CH3COCHO + 0.06*BIGALD1 + 0.2*BIGALD2 + 0.15*BIGALD3 + 0.21*BIGALD4", + "from": "jch3ooh" + }, + { + "to": "jxylolooh", + "__reaction": "XYLOLOOH + hv -> OH + 0.17*GLYOXAL + 0.51*CH3COCHO + HO2", + "from": "jch3ooh" + }, + { + "to": "jsoa1_a1", + "__reaction": "soa1_a1 + hv -> Products", + "from": "jno2", + "scale by": 0.0004 + }, + { + "to": "jsoa1_a2", + "__reaction": "soa1_a2 + hv -> Products", + "from": "jno2", + "scale by": 0.0004 + }, + { + "to": "jsoa2_a1", + "__reaction": "soa2_a1 + hv -> Products", + "from": "jno2", + "scale by": 0.0004 + }, + { + "to": "jsoa2_a2", + "__reaction": "soa2_a2 + hv -> Products", + "from": "jno2", + "scale by": 0.0004 + }, + { + "to": "jsoa3_a1", + "__reaction": "soa3_a1 + hv -> Products", + "from": "jno2", + "scale by": 0.0004 + }, + { + "to": "jsoa3_a2", + "__reaction": "soa3_a2 + hv -> Products", + "from": "jno2", + "scale by": 0.0004 + }, + { + "to": "jsoa4_a1", + "__reaction": "soa4_a1 + hv -> Products", + "from": "jno2", + "scale by": 0.0004 + }, + { + "to": "jsoa4_a2", + "__reaction": "soa4_a2 + hv -> Products", + "from": "jno2", + "scale by": 0.0004 + }, + { + "to": "jsoa5_a1", + "__reaction": "soa5_a1 + hv -> Products", + "from": "jno2", + "scale by": 0.0004 + }, + { + "to": "jsoa5_a2", + "__reaction": "soa5_a2 + hv -> Products", + "from": "jno2", + "scale by": 0.0004 + } + ] + } } -} +} \ No newline at end of file diff --git a/src/chemistry/mozart/mo_gas_phase_chemdr.F90 b/src/chemistry/mozart/mo_gas_phase_chemdr.F90 index c894e99c74..85a3e9eec5 100644 --- a/src/chemistry/mozart/mo_gas_phase_chemdr.F90 +++ b/src/chemistry/mozart/mo_gas_phase_chemdr.F90 @@ -815,7 +815,7 @@ subroutine gas_phase_chemdr(lchnk, ncol, imozart, q, & call shr_orb_decl( calday, eccen, mvelpp, lambm0, obliqr , & delta, esfact ) - if (tuvx_active) then + ! if (tuvx_active) then !----------------------------------------------------------------- ! ... get calculated photolysis rates from TUV-x !----------------------------------------------------------------- @@ -823,14 +823,15 @@ subroutine gas_phase_chemdr(lchnk, ncol, imozart, q, & tfld, ts, invariants, vmr, col_delta, & asdir, zen_angle, esfact, pdel, cldfr,& cwat, reaction_rates(:,:,1:phtcnt) ) - else +reaction_rates(:,:,1:phtcnt)=0._r8 + ! else !----------------------------------------------------------------- ! ... lookup the photolysis rates from table !----------------------------------------------------------------- call table_photo( reaction_rates, pmid, pdel, tfld, zmid, zint, & col_dens, zen_angle, asdir, cwat, cldfr, & esfact, vmr, invariants, ncol, lchnk, pbuf ) - endif + ! endif do i = 1,phtcnt call outfld( tag_names(i), reaction_rates(:ncol,:,rxt_tag_map(i)), ncol, lchnk ) diff --git a/src/chemistry/mozart/mo_tuvx.F90 b/src/chemistry/mozart/mo_tuvx.F90 index f7d51fd651..50d868cd18 100644 --- a/src/chemistry/mozart/mo_tuvx.F90 +++ b/src/chemistry/mozart/mo_tuvx.F90 @@ -261,7 +261,7 @@ subroutine tuvx_init( photon_file, electron_file, max_solar_zenith_angle ) if( is_initialized ) return is_initialized = .true. - call die_msg( 121631567, "TUV-x is not yet ready for use in CAM" ) + !call die_msg( 121631567, "TUV-x is not yet ready for use in CAM" ) if( is_main_task ) write(iulog,*) "Beginning TUV-x Initialization"