From b5c7f95c947815db563d637b9127e5f6af5f3368 Mon Sep 17 00:00:00 2001
From: Even Solbraa <41290109+EvenSol@users.noreply.github.com>
Date: Sat, 25 Nov 2023 18:35:32 +0100
Subject: [PATCH 1/4] fix staility of TEG process (#859)
---
.../distillation/DistillationColumn.java | 62 +++---
.../ThermodynamicOperations.java | 178 +++++++++---------
2 files changed, 124 insertions(+), 116 deletions(-)
diff --git a/src/main/java/neqsim/processSimulation/processEquipment/distillation/DistillationColumn.java b/src/main/java/neqsim/processSimulation/processEquipment/distillation/DistillationColumn.java
index 478fd5a19f..f945e8de79 100644
--- a/src/main/java/neqsim/processSimulation/processEquipment/distillation/DistillationColumn.java
+++ b/src/main/java/neqsim/processSimulation/processEquipment/distillation/DistillationColumn.java
@@ -56,8 +56,8 @@ public class DistillationColumn extends ProcessEquipmentBaseClass implements Dis
*
*
* @param numberOfTraysLocal a int
- * @param hasReboiler a boolean
- * @param hasCondenser a boolean
+ * @param hasReboiler a boolean
+ * @param hasCondenser a boolean
*/
public DistillationColumn(int numberOfTraysLocal, boolean hasReboiler, boolean hasCondenser) {
super("DistillationColumn");
@@ -86,8 +86,9 @@ public DistillationColumn(int numberOfTraysLocal, boolean hasReboiler, boolean h
* addFeedStream.
*
*
- * @param inputStream a {@link neqsim.processSimulation.processEquipment.stream.StreamInterface}
- * object
+ * @param inputStream a
+ * {@link neqsim.processSimulation.processEquipment.stream.StreamInterface}
+ * object
* @param feedTrayNumber a int
*/
public void addFeedStream(StreamInterface inputStream, int feedTrayNumber) {
@@ -154,20 +155,18 @@ public void init() {
// ((Runnable) trays.get(numberOfTrays - 1)).run();
((Runnable) trays.get(0)).run();
-
double feedTrayTemperature = getTray(getFeedTrayNumber()).getTemperature();
if (trays.get(numberOfTrays - 1).getNumberOfInputStreams() > 0) {
- condenserTemperature =
- ((MixerInterface) trays.get(numberOfTrays - 1)).getThermoSystem().getTemperature();
+ condenserTemperature = ((MixerInterface) trays.get(numberOfTrays - 1)).getThermoSystem().getTemperature();
} else {
condenserTemperature = feedTrayTemperature - 1.0;
}
reboilerTemperature = ((MixerInterface) trays.get(0)).getThermoSystem().getTemperature();
- double deltaTempCondenser =
- (feedTrayTemperature - condenserTemperature) / (numberOfTrays * 1.0 - feedTrayNumber - 1);
+ double deltaTempCondenser = (feedTrayTemperature - condenserTemperature)
+ / (numberOfTrays * 1.0 - feedTrayNumber - 1);
double deltaTempReboiler = (reboilerTemperature - feedTrayTemperature) / (feedTrayNumber * 1.0);
double delta = 0;
@@ -208,7 +207,9 @@ public void init() {
* Getter for the field gasOutStream.
*
*
- * @return a {@link neqsim.processSimulation.processEquipment.stream.StreamInterface} object
+ * @return a
+ * {@link neqsim.processSimulation.processEquipment.stream.StreamInterface}
+ * object
*/
public StreamInterface getGasOutStream() {
return gasOutStream;
@@ -219,7 +220,9 @@ public StreamInterface getGasOutStream() {
* Getter for the field liquidOutStream.
*
*
- * @return a {@link neqsim.processSimulation.processEquipment.stream.StreamInterface} object
+ * @return a
+ * {@link neqsim.processSimulation.processEquipment.stream.StreamInterface}
+ * object
*/
public StreamInterface getLiquidOutStream() {
return liquidOutStream;
@@ -231,7 +234,9 @@ public StreamInterface getLiquidOutStream() {
*
*
* @param trayNumber a int
- * @return a {@link neqsim.processSimulation.processEquipment.distillation.SimpleTray} object
+ * @return a
+ * {@link neqsim.processSimulation.processEquipment.distillation.SimpleTray}
+ * object
*/
public SimpleTray getTray(int trayNumber) {
return trays.get(trayNumber);
@@ -370,14 +375,6 @@ public void run(UUID id) {
trays.get(i + 1).getLiquidOutStream());
((SimpleTray) trays.get(i)).run(id);
}
- for (int i = 1; i <= numberOfTrays - 1; i++) {
- int replaceStream = trays.get(i).getNumberOfInputStreams() - 2;
- if (i == (numberOfTrays - 1)) {
- replaceStream = trays.get(i).getNumberOfInputStreams() - 1;
- }
- ((Mixer) trays.get(i)).replaceStream(replaceStream, trays.get(i - 1).getGasOutStream());
- ((SimpleTray) trays.get(i)).run(id);
- }
for (int i = 0; i < numberOfTrays; i++) {
err += Math.abs(
oldtemps[i] - ((MixerInterface) trays.get(i)).getThermoSystem().getTemperature());
@@ -385,7 +382,7 @@ public void run(UUID id) {
logger.info("error iter " + err + " iteration " + iter);
// System.out.println("error iter " + err + " iteration " + iter);
// massBalanceCheck();
- } while (err > 1e-4 && err < errOld && iter < maxNumberOfIterations); // &&
+ } while (err > 1e-4 && err < errOld && iter < maxNumberOfIterations); // &&
// !massBalanceCheck());
// massBalanceCheck();
// componentMassBalanceCheck("water");
@@ -506,12 +503,15 @@ public boolean massBalanceCheck() {
+ trays.get(i).getGasOutStream().getPressure() + " temperature "
+ trays.get(i).getGasOutStream().getTemperature("C"));
/*
- * System.out.println( "tray " + i + " number of input streams " + numberOfInputStreams +
+ * System.out.println( "tray " + i + " number of input streams " +
+ * numberOfInputStreams +
* " water in gasout " +
* trays.get(i).getGasOutStream().getFluid().getPhase(0).getComponent("water")
* .getNumberOfmoles() + " water in liquidout " +
- * trays.get(i).getLiquidOutStream().getFluid().getPhase(0).getComponent( "water")
- * .getNumberOfmoles() + " pressure " + trays.get(i).getGasOutStream().getPressure() +
+ * trays.get(i).getLiquidOutStream().getFluid().getPhase(0).getComponent(
+ * "water")
+ * .getNumberOfmoles() + " pressure " +
+ * trays.get(i).getGasOutStream().getPressure() +
* " temperature " + trays.get(i).getGasOutStream().getTemperature("C"));
*/
}
@@ -562,8 +562,7 @@ public void energyBalanceCheck() {
* @param args an array of {@link java.lang.String} objects
*/
public static void main(String[] args) {
- neqsim.thermo.system.SystemInterface testSystem =
- new neqsim.thermo.system.SystemSrkEos((273.15 - 0.0), 15.000);
+ neqsim.thermo.system.SystemInterface testSystem = new neqsim.thermo.system.SystemSrkEos((273.15 - 0.0), 15.000);
// testSystem.addComponent("methane", 10.00);
testSystem.addComponent("ethane", 10.0);
testSystem.addComponent("CO2", 10.0);
@@ -587,8 +586,7 @@ public static void main(String[] args) {
// column.getCondenser().setHeatInput(-70000.0);
// ((Condenser) column.getCondenser()).setRefluxRatio(0.2);
- neqsim.processSimulation.processSystem.ProcessSystem operations =
- new neqsim.processSimulation.processSystem.ProcessSystem();
+ neqsim.processSimulation.processSystem.ProcessSystem operations = new neqsim.processSimulation.processSystem.ProcessSystem();
operations.add(stream_1);
operations.add(column);
operations.run();
@@ -603,7 +601,9 @@ public static void main(String[] args) {
* getReboiler.
*
*
- * @return a {@link neqsim.processSimulation.processEquipment.distillation.SimpleTray} object
+ * @return a
+ * {@link neqsim.processSimulation.processEquipment.distillation.SimpleTray}
+ * object
*/
public SimpleTray getReboiler() {
return trays.get(0);
@@ -614,7 +614,9 @@ public SimpleTray getReboiler() {
* getCondenser.
*
*
- * @return a {@link neqsim.processSimulation.processEquipment.distillation.SimpleTray} object
+ * @return a
+ * {@link neqsim.processSimulation.processEquipment.distillation.SimpleTray}
+ * object
*/
public SimpleTray getCondenser() {
return trays.get(trays.size() - 1);
diff --git a/src/main/java/neqsim/thermodynamicOperations/ThermodynamicOperations.java b/src/main/java/neqsim/thermodynamicOperations/ThermodynamicOperations.java
index 891a95a37a..274a118766 100644
--- a/src/main/java/neqsim/thermodynamicOperations/ThermodynamicOperations.java
+++ b/src/main/java/neqsim/thermodynamicOperations/ThermodynamicOperations.java
@@ -89,7 +89,8 @@ public class ThermodynamicOperations implements java.io.Serializable, Cloneable
* Constructor for ThermodynamicOperations.
*
*/
- public ThermodynamicOperations() {}
+ public ThermodynamicOperations() {
+ }
/**
*
@@ -124,11 +125,12 @@ public void TPSolidflash() {
}
/**
- * Method to perform a flash at given temperature, pressure and specified volume The number of
+ * Method to perform a flash at given temperature, pressure and specified volume
+ * The number of
* moles in the system are changed to match the specified volume.
*
* @param volumeSpec is the specified volume
- * @param unit Supported units are m3
+ * @param unit Supported units are m3
*/
public void TPVflash(double volumeSpec, String unit) {
unit = "m3";
@@ -146,18 +148,17 @@ public void TPVflash(double volumeSpec, String unit) {
public void TPflash() {
double flowRate = system.getTotalNumberOfMoles();
double minimumFlowRate = 1e-50;
- if (flowRate < 1e-3) {
+ if (flowRate < 1e-5) {
system.setTotalNumberOfMoles(1.0);
system.init(1);
}
- operation =
- new neqsim.thermodynamicOperations.flashOps.TPflash(system, system.doSolidPhaseCheck());
+ operation = new neqsim.thermodynamicOperations.flashOps.TPflash(system, system.doSolidPhaseCheck());
if (!isRunAsThread()) {
getOperation().run();
} else {
run();
}
- if (flowRate < 1e-3) {
+ if (flowRate < 1e-5) {
if (flowRate < minimumFlowRate) {
system.setTotalNumberOfMoles(minimumFlowRate);
} else {
@@ -172,7 +173,8 @@ public void TPflash() {
* TPflash.
*
*
- * @param checkForSolids Set true to check for solid phase and do solid phase calculations.
+ * @param checkForSolids Set true to check for solid phase and do solid phase
+ * calculations.
*/
public void TPflash(boolean checkForSolids) {
operation = new neqsim.thermodynamicOperations.flashOps.TPflash(system, checkForSolids);
@@ -184,7 +186,7 @@ public void TPflash(boolean checkForSolids) {
* TPgradientFlash.
*
*
- * @param height a double
+ * @param height a double
* @param temperature a double
* @return a {@link neqsim.thermo.system.SystemInterface} object
*/
@@ -223,8 +225,7 @@ public void saturateWithWater() {
*/
public void chemicalEquilibrium() {
if (system.isChemicalSystem()) {
- operation =
- new neqsim.thermodynamicOperations.chemicalEquilibrium.ChemicalEquilibrium(system);
+ operation = new neqsim.thermodynamicOperations.chemicalEquilibrium.ChemicalEquilibrium(system);
getOperation().run();
}
}
@@ -235,7 +236,7 @@ public void chemicalEquilibrium() {
*
*
* @param Hspec a double
- * @param type a int
+ * @param type a int
*/
public void PHflash(double Hspec, int type) {
if (system.getPhase(0).getNumberOfComponents() == 1) {
@@ -249,7 +250,7 @@ public void PHflash(double Hspec, int type) {
/**
* Method to perform a PH flash calculation.
*
- * @param Hspec is the enthalpy in the specified unit
+ * @param Hspec is the enthalpy in the specified unit
* @param enthalpyUnit Supported units are J, J/mol, J/kg and kJ/kg
*/
public void PHflash(double Hspec, String enthalpyUnit) {
@@ -309,10 +310,10 @@ public void PUflash(double Uspec) {
* PUflash.
*
*
- * @param Pspec a double
- * @param Uspec a double
+ * @param Pspec a double
+ * @param Uspec a double
* @param unitPressure a {@link java.lang.String} object
- * @param unitEnergy a {@link java.lang.String} object
+ * @param unitEnergy a {@link java.lang.String} object
*/
public void PUflash(double Pspec, double Uspec, String unitPressure, String unitEnergy) {
system.setPressure(Pspec, unitPressure);
@@ -324,7 +325,7 @@ public void PUflash(double Pspec, double Uspec, String unitPressure, String unit
* PUflash.
*
*
- * @param Uspec a double
+ * @param Uspec a double
* @param unitEnergy a {@link java.lang.String} object
*/
public void PUflash(double Uspec, String unitEnergy) {
@@ -340,8 +341,7 @@ public void PUflash(double Uspec, String unitEnergy) {
conversionFactorEntr = 1.0 / system.getTotalNumberOfMoles() / system.getMolarMass();
break;
case "kJ/kg":
- conversionFactorEntr =
- 1.0 / system.getTotalNumberOfMoles() / system.getMolarMass() / 1000.0;
+ conversionFactorEntr = 1.0 / system.getTotalNumberOfMoles() / system.getMolarMass() / 1000.0;
break;
default:
break;
@@ -355,7 +355,7 @@ public void PUflash(double Uspec, String unitEnergy) {
*
*
* @param Hspec a double
- * @param type a int
+ * @param type a int
*/
public void PHflash2(double Hspec, int type) {
operation = new PHflash(system, Hspec, type);
@@ -401,10 +401,11 @@ public void PSflash(double Sspec) {
}
/**
- * Method to perform a PS flash calculation for a specified entropy and pressure.
+ * Method to perform a PS flash calculation for a specified entropy and
+ * pressure.
*
* @param Sspec is the entropy in the specified unit
- * @param unit Supported units are J/K, J/molK, J/kgK and kJ/kgK
+ * @param unit Supported units are J/K, J/molK, J/kgK and kJ/kgK
*/
public void PSflash(double Sspec, String unit) {
double conversionFactor = 1.0;
@@ -439,10 +440,11 @@ public void TSflash(double Sspec) {
}
/**
- * Method to perform a TS flash calculation for a specified entropy and pressure.
+ * Method to perform a TS flash calculation for a specified entropy and
+ * pressure.
*
* @param Sspec is the entropy in the specified unit
- * @param unit Supported units are J/K, J/molK, J/kgK and kJ/kgK
+ * @param unit Supported units are J/K, J/molK, J/kgK and kJ/kgK
*/
public void TSflash(double Sspec, String unit) {
double conversionFactor = 1.0;
@@ -495,9 +497,9 @@ public void PSflash2(double Sspec) {
* VSflash.
*
*
- * @param volume a double
- * @param entropy a double
- * @param unitVol a {@link java.lang.String} object
+ * @param volume a double
+ * @param entropy a double
+ * @param unitVol a {@link java.lang.String} object
* @param unitEntropy a {@link java.lang.String} object
*/
public void VSflash(double volume, double entropy, String unitVol, String unitEntropy) {
@@ -523,8 +525,7 @@ public void VSflash(double volume, double entropy, String unitVol, String unitEn
conversionFactorEntr = 1.0 / system.getTotalNumberOfMoles() / system.getMolarMass();
break;
case "kJ/kgK":
- conversionFactorEntr =
- 1.0 / system.getTotalNumberOfMoles() / system.getMolarMass() / 1000.0;
+ conversionFactorEntr = 1.0 / system.getTotalNumberOfMoles() / system.getMolarMass() / 1000.0;
break;
default:
break;
@@ -537,7 +538,7 @@ public void VSflash(double volume, double entropy, String unitVol, String unitEn
* VSflash.
*
*
- * @param volume a double
+ * @param volume a double
* @param entropy a double
*/
public void VSflash(double volume, double entropy) {
@@ -551,7 +552,7 @@ public void VSflash(double volume, double entropy) {
*
*
* @param Vspec a double
- * @param unit a {@link java.lang.String} object
+ * @param unit a {@link java.lang.String} object
*/
public void TVflash(double Vspec, String unit) {
double conversionFactor = 1.0;
@@ -582,7 +583,7 @@ public void TVflash(double Vspec) {
* PVrefluxFlash.
*
*
- * @param refluxspec a double
+ * @param refluxspec a double
* @param refluxPhase a int
*/
public void PVrefluxFlash(double refluxspec, int refluxPhase) {
@@ -608,9 +609,9 @@ public void VHflash(double Vspec, double Hspec) {
* VHflash.
*
*
- * @param volume a double
- * @param enthalpy a double
- * @param unitVol a {@link java.lang.String} object
+ * @param volume a double
+ * @param enthalpy a double
+ * @param unitVol a {@link java.lang.String} object
* @param unitEnthalpy a {@link java.lang.String} object
*/
public void VHflash(double volume, double enthalpy, String unitVol, String unitEnthalpy) {
@@ -636,8 +637,7 @@ public void VHflash(double volume, double enthalpy, String unitVol, String unitE
conversionFactorEntr = 1.0 / system.getTotalNumberOfMoles() / system.getMolarMass();
break;
case "kJ/kg":
- conversionFactorEntr =
- 1.0 / system.getTotalNumberOfMoles() / system.getMolarMass() / 1000.0;
+ conversionFactorEntr = 1.0 / system.getTotalNumberOfMoles() / system.getMolarMass() / 1000.0;
break;
default:
break;
@@ -650,9 +650,9 @@ public void VHflash(double volume, double enthalpy, String unitVol, String unitE
* VUflash.
*
*
- * @param volume a double
- * @param energy a double
- * @param unitVol a {@link java.lang.String} object
+ * @param volume a double
+ * @param energy a double
+ * @param unitVol a {@link java.lang.String} object
* @param unitEnergy a {@link java.lang.String} object
*/
public void VUflash(double volume, double energy, String unitVol, String unitEnergy) {
@@ -678,8 +678,7 @@ public void VUflash(double volume, double energy, String unitVol, String unitEne
conversionFactorEntr = 1.0 / system.getTotalNumberOfMoles() / system.getMolarMass();
break;
case "kJ/kg":
- conversionFactorEntr =
- 1.0 / system.getTotalNumberOfMoles() / system.getMolarMass() / 1000.0;
+ conversionFactorEntr = 1.0 / system.getTotalNumberOfMoles() / system.getMolarMass() / 1000.0;
break;
default:
break;
@@ -861,8 +860,8 @@ public void checkScalePotential(int phaseNumber) throws Exception {
* addIonToScaleSaturation.
*
*
- * @param phaseNumber a int
- * @param scaleSaltName a {@link java.lang.String} object
+ * @param phaseNumber a int
+ * @param scaleSaltName a {@link java.lang.String} object
* @param nameOfIonToBeAdded a {@link java.lang.String} object
* @throws java.lang.Exception if any.
*/
@@ -996,7 +995,7 @@ public void calcSolidComlexTemperature(String comp1, String comp2) throws Except
*
*
* @param temperature an array of {@link double} objects
- * @param pressure an array of {@link double} objects
+ * @param pressure an array of {@link double} objects
* @return an array of {@link double} objects
*/
public double[] calcImobilePhaseHydrateTemperature(double[] temperature, double[] pressure) {
@@ -1008,9 +1007,12 @@ public double[] calcImobilePhaseHydrateTemperature(double[] temperature, double[
for (int i = 0; i < temperature.length; i++) {
/*
* opsTemp = new ThermodynamicOperations(systemTemp);
- * systemTemp.setTemperature(temperature[i]); systemTemp.setPressure(pressure[i]);
- * systemTemp.init(0); systemTemp.display(); try { opsTemp.hydrateFormationTemperature(); }
- * catch (Exception ex) { logger.error(ex.getMessage(),e); } systemTemp.display(); hydTemps[i]
+ * systemTemp.setTemperature(temperature[i]);
+ * systemTemp.setPressure(pressure[i]);
+ * systemTemp.init(0); systemTemp.display(); try {
+ * opsTemp.hydrateFormationTemperature(); }
+ * catch (Exception ex) { logger.error(ex.getMessage(),e); }
+ * systemTemp.display(); hydTemps[i]
* = systemTemp.getTemperature();
*
*/
@@ -1063,7 +1065,7 @@ public double calcTOLHydrateFormationTemperature() {
* hydrateInhibitorConcentration.
*
*
- * @param inhibitorName a {@link java.lang.String} object
+ * @param inhibitorName a {@link java.lang.String} object
* @param hydEqTemperature a double
* @throws java.lang.Exception if any.
*/
@@ -1079,7 +1081,7 @@ public void hydrateInhibitorConcentration(String inhibitorName, double hydEqTemp
*
*
* @param inhibitorName a {@link java.lang.String} object
- * @param wtfrac a double
+ * @param wtfrac a double
* @throws java.lang.Exception if any.
*/
public void hydrateInhibitorConcentrationSet(String inhibitorName, double wtfrac)
@@ -1207,7 +1209,7 @@ public void hydrateEquilibriumLine(double minimumPressure, double maximumPressur
* calcCricoP.
*
*
- * @param cricondenBar an array of {@link double} objects
+ * @param cricondenBar an array of {@link double} objects
* @param cricondenBarX an array of {@link double} objects
* @param cricondenBarY an array of {@link double} objects
*/
@@ -1225,7 +1227,7 @@ public void calcCricoP(double[] cricondenBar, double[] cricondenBarX, double[] c
* calcCricoT.
*
*
- * @param cricondenTherm an array of {@link double} objects
+ * @param cricondenTherm an array of {@link double} objects
* @param cricondenThermX an array of {@link double} objects
* @param cricondenThermY an array of {@link double} objects
*/
@@ -1376,7 +1378,7 @@ public void constantPhaseFractionTemperatureFlash(double fraction) throws Except
*
* @param componentName a {@link java.lang.String} object
* @param specification a {@link java.lang.String} object
- * @param spec a double
+ * @param spec a double
* @throws java.lang.Exception if any.
*/
public void dewPointMach(String componentName, String specification, double spec)
@@ -1433,8 +1435,8 @@ public void dewPointMach(String componentName, String specification, double spec
* @throws java.lang.Exception if any.
*/
public void dewPointTemperatureFlash() throws Exception {
- ConstantDutyFlashInterface operation =
- new neqsim.thermodynamicOperations.flashOps.saturationOps.dewPointTemperatureFlash(system);
+ ConstantDutyFlashInterface operation = new neqsim.thermodynamicOperations.flashOps.saturationOps.dewPointTemperatureFlash(
+ system);
operation.run();
if (Double.isNaN(system.getTemperature()) || operation.isSuperCritical()) {
throw new neqsim.util.exception.IsNaNException(this.getClass().getSimpleName(),
@@ -1451,8 +1453,8 @@ public void dewPointTemperatureFlash() throws Exception {
* @throws java.lang.Exception if any.
*/
public void dewPointTemperatureFlash(boolean derivatives) throws Exception {
- ConstantDutyFlashInterface operation =
- new neqsim.thermodynamicOperations.flashOps.saturationOps.dewPointTemperatureFlash(system);
+ ConstantDutyFlashInterface operation = new neqsim.thermodynamicOperations.flashOps.saturationOps.dewPointTemperatureFlash(
+ system);
if (derivatives) {
operation = new dewPointTemperatureFlashDer(system);
}
@@ -1535,7 +1537,7 @@ public void calcPTphaseEnvelope() {
*
*
* @param bubfirst a boolean
- * @param lowPres a double
+ * @param lowPres a double
*/
public void calcPTphaseEnvelope(boolean bubfirst, double lowPres) {
double phasefraction = 1.0 - 1e-10;
@@ -1591,7 +1593,7 @@ public void calcPTphaseEnvelope(boolean bubfirst) {
* calcPTphaseEnvelope.
*
*
- * @param lowPres a double
+ * @param lowPres a double
* @param phasefraction a double
*/
public void calcPTphaseEnvelope(double lowPres, double phasefraction) {
@@ -1618,14 +1620,14 @@ public void calcPTphaseEnvelopeNew() {
* OLGApropTable.
*
*
- * @param minTemp a double
- * @param maxTemp a double
+ * @param minTemp a double
+ * @param maxTemp a double
* @param temperatureSteps a int
- * @param minPres a double
- * @param maxPres a double
- * @param pressureSteps a int
- * @param filename a {@link java.lang.String} object
- * @param TABtype a int
+ * @param minPres a double
+ * @param maxPres a double
+ * @param pressureSteps a int
+ * @param filename a {@link java.lang.String} object
+ * @param TABtype a int
*/
public void OLGApropTable(double minTemp, double maxTemp, int temperatureSteps, double minPres,
double maxPres, int pressureSteps, String filename, int TABtype) {
@@ -1643,14 +1645,14 @@ public void OLGApropTable(double minTemp, double maxTemp, int temperatureSteps,
* OLGApropTablePH.
*
*
- * @param minEnthalpy a double
- * @param maxEnthalpy a double
+ * @param minEnthalpy a double
+ * @param maxEnthalpy a double
* @param enthalpySteps a int
- * @param minPres a double
- * @param maxPres a double
+ * @param minPres a double
+ * @param maxPres a double
* @param pressureSteps a int
- * @param filename a {@link java.lang.String} object
- * @param TABtype a int
+ * @param filename a {@link java.lang.String} object
+ * @param TABtype a int
*/
public void OLGApropTablePH(double minEnthalpy, double maxEnthalpy, int enthalpySteps,
double minPres, double maxPres, int pressureSteps, String filename, int TABtype) {
@@ -1720,8 +1722,7 @@ public double[][] getData() {
* @return an array of {@link java.lang.String} objects
*/
public String[][] getDataPoints() {
- String[][] str =
- new String[getOperation().getPoints(0).length][getOperation().getPoints(0)[0].length];
+ String[][] str = new String[getOperation().getPoints(0).length][getOperation().getPoints(0)[0].length];
for (int i = 0; i < getOperation().getPoints(0).length; i++) {
for (int j = 0; j < getOperation().getPoints(0)[0].length; j++) {
str[i][j] = Double.toString(getOperation().getPoints(0)[i][j]);
@@ -1910,8 +1911,8 @@ public void calcIonComposition(int phaseNumber) {
*
*
* @param flashType Type of flash.
- * @param spec1 Value of spec1
- * @param spec2 Value of spec2
+ * @param spec1 Value of spec1
+ * @param spec2 Value of spec2
* @param unitSpec1 Unit of spec1
* @param unitSpec2 Unit of spec2
*/
@@ -1946,16 +1947,19 @@ public void flash(FlashType flashType, double spec1, double spec2, String unitSp
}
/**
- * Perform flashes and return System properties per set of Spec1 and Spec2. Possible to specify
+ * Perform flashes and return System properties per set of Spec1 and Spec2.
+ * Possible to specify
* fractions for each value of Spec1.
*
- * @param Spec1 Flash pressure in bar absolute.
- * @param Spec2 Flash specification. Depends on FlashMode. Temperature in Kelvin, entalphy in
- * J/mol or entropy in J/molK.
- * @param FlashMode 1 - PT 2 - PH 3 - PS
- * @param components Not yet in use.
- * @param onlineFractions Specify fractions per sample instance or null to use static composition
- * specified in system.
+ * @param Spec1 Flash pressure in bar absolute.
+ * @param Spec2 Flash specification. Depends on FlashMode. Temperature
+ * in Kelvin, entalphy in
+ * J/mol or entropy in J/molK.
+ * @param FlashMode 1 - PT 2 - PH 3 - PS
+ * @param components Not yet in use.
+ * @param onlineFractions Specify fractions per sample instance or null to use
+ * static composition
+ * specified in system.
* @return Object CalculationResult object
*/
public CalculationResult propertyFlash(List Spec1, List Spec2, int FlashMode,
@@ -2049,12 +2053,14 @@ public CalculationResult propertyFlash(List Spec1, List Spec2, i
*
* this.system.setEmptyFluid();
*
- * // Components in system with no corresponding value in onlineFractions will be zero.
+ * // Components in system with no corresponding value in onlineFractions will
+ * be zero.
* for (int componentNumber = 0; componentNumber < onlineFractions .size();
* componentNumber++) { this.system.addComponent(componentNumber,
* onlineFractions.get(componentNumber).get(t).doubleValue()); }
*
- * if (this.system.getTotalNumberOfMoles() < 1e-5) { this.system.setTotalNumberOfMoles(1);
+ * if (this.system.getTotalNumberOfMoles() < 1e-5) {
+ * this.system.setTotalNumberOfMoles(1);
* }
*/
From 3910d39326daf7dcc9db01611b50ee2c903b6c05 Mon Sep 17 00:00:00 2001
From: Even Solbraa <41290109+EvenSol@users.noreply.github.com>
Date: Sat, 25 Nov 2023 21:47:19 +0100
Subject: [PATCH 2/4] improve TPflash speed (#860)
* bug fix
* update flash
* imporve flash
---
.../ThermodynamicOperations.java | 5 +-
.../flashOps/TPmultiflash.java | 16 ++++++-
.../flashOps/TPFlashTest.java | 46 +++++++++++++++++++
3 files changed, 61 insertions(+), 6 deletions(-)
diff --git a/src/main/java/neqsim/thermodynamicOperations/ThermodynamicOperations.java b/src/main/java/neqsim/thermodynamicOperations/ThermodynamicOperations.java
index 274a118766..bdd1c095f9 100644
--- a/src/main/java/neqsim/thermodynamicOperations/ThermodynamicOperations.java
+++ b/src/main/java/neqsim/thermodynamicOperations/ThermodynamicOperations.java
@@ -3,14 +3,11 @@
import java.awt.BorderLayout;
import java.awt.Container;
import java.util.List;
-
import javax.swing.JFrame;
import javax.swing.JScrollPane;
import javax.swing.JTable;
-
import org.apache.logging.log4j.LogManager;
import org.apache.logging.log4j.Logger;
-
import neqsim.api.ioc.CalculationResult;
import neqsim.thermo.component.ComponentHydrate;
import neqsim.thermo.system.SystemInterface;
@@ -164,7 +161,7 @@ public void TPflash() {
} else {
system.setTotalNumberOfMoles(flowRate);
}
- system.init(2);
+ system.init(1);
}
}
diff --git a/src/main/java/neqsim/thermodynamicOperations/flashOps/TPmultiflash.java b/src/main/java/neqsim/thermodynamicOperations/flashOps/TPmultiflash.java
index 7d18355b6e..f910ff1837 100644
--- a/src/main/java/neqsim/thermodynamicOperations/flashOps/TPmultiflash.java
+++ b/src/main/java/neqsim/thermodynamicOperations/flashOps/TPmultiflash.java
@@ -377,7 +377,7 @@ public void stabilityAnalysis() {
err = 0;
if (iter <= 150 || !system.isImplementedCompositionDeriativesofFugacity()) {
- if (iter % 7 == 0 && iter < 150 && useaccsubst) {
+ if (iter % 7 == 0 && useaccsubst) {
double vec1 = 0.0;
double vec2 = 0.0;
@@ -420,6 +420,7 @@ public void stabilityAnalysis() {
deltalogWi[i] = logWi[i] - oldlogw[i];
err += Math.abs(logWi[i] - oldlogw[i]);
Wi[j][i] = Math.exp(logWi[i]);
+ useaccsubst = true;
}
if (iter > 2 && err > errOld) {
useaccsubst = false;
@@ -840,6 +841,11 @@ public void stabilityAnalysis2() {
}
}
} while ((Math.abs(err) > 1e-9 || err > errOld) && iter < 200);
+ if (iter > 198) {
+ System.out.println("too many iterations....." + err + " temperature "
+ + system.getTemperature("C") + " C " + system.getPressure("bara") + " bara");
+ new Exception("to many iterations ");
+ }
// logger.info("err: " + err + " ITER " + iter);
double xTrivialCheck0 = 0.0;
double xTrivialCheck1 = 0.0;
@@ -927,6 +933,7 @@ public void run() {
double oldDiff = 1.0e10;
double chemdev = 0;
int iterOut = 0;
+ double maxerr = 1e-12;
do {
iterOut++;
if (system.isChemicalSystem()) {
@@ -968,11 +975,16 @@ public void run() {
// diff = Math.abs((system.getBeta(system.getNumberOfPhases() - 1) - oldBeta) /
// oldBeta);
// logger.info("diff multiphase " + diff);
- } while (diff > 1e-12 && !removePhase && (diff < oldDiff || iterations < 50)
+ if (iterations % 50 == 0) {
+ maxerr *= 100.0;
+ }
+ } while (diff > maxerr && !removePhase && (diff < oldDiff || iterations < 50)
&& iterations < 200);
// this.solveBeta(true);
if (iterations >= 199) {
logger.error("error in multiphase flash..did not solve in 200 iterations");
+ logger.error("diff " + diff + " temperaure " + system.getTemperature("C") + " pressure "
+ + system.getPressure("bara"));
diff = this.solveBeta();
}
} while ((Math.abs(chemdev) > 1e-10 && iterOut < 100)
diff --git a/src/test/java/neqsim/thermodynamicOperations/flashOps/TPFlashTest.java b/src/test/java/neqsim/thermodynamicOperations/flashOps/TPFlashTest.java
index 6fff851397..7a70177656 100644
--- a/src/test/java/neqsim/thermodynamicOperations/flashOps/TPFlashTest.java
+++ b/src/test/java/neqsim/thermodynamicOperations/flashOps/TPFlashTest.java
@@ -1,6 +1,7 @@
package neqsim.thermodynamicOperations.flashOps;
import static org.junit.jupiter.api.Assertions.assertEquals;
+import static org.junit.jupiter.api.Assertions.assertTrue;
import org.junit.jupiter.api.BeforeEach;
import org.junit.jupiter.api.Test;
import neqsim.thermodynamicOperations.ThermodynamicOperations;
@@ -139,4 +140,49 @@ void testRun6() {
assertEquals(0.27697023508525664, testSystem5.getBeta(), 1e-6);
assertEquals(3, testSystem5.getNumberOfPhases());
}
+
+ @Test
+ void testTPflash1() {
+ testSystem = new neqsim.thermo.system.SystemSrkEos(273.15 + 177.0, 316.0);
+ testSystem.addComponent("water", 65.93229747922976);
+ testSystem.addComponent("NaCl", 0.784426208131475);
+ testSystem.addComponent("nitrogen", 0.578509157534656);
+ testSystem.addComponent("methane", 22.584113183429718);
+ testSystem.addComponent("ethane", 3.43870686718215);
+ testSystem.addComponent("propane", 0.26487350163523365);
+ testSystem.addComponent("i-butane", 0.04039429848533373);
+ testSystem.addComponent("n-butane", 0.1543856425679738);
+ testSystem.addComponent("i-pentane", 0.04039429848533373);
+ testSystem.addComponent("n-pentane", 0.1543856425679738);
+ testSystem.addTBPfraction("C6", 0.568724470114871, 84.93298402237961 / 1000.0,
+ 666.591171644071 / 1000.0);
+ testSystem.addTBPfraction("C7", 0.9478147516962493, 90.01311937418495 / 1000.0,
+ 746.9101810251765 / 1000.0);
+ testSystem.addTBPfraction("C8", 0.974840433764089, 102.34691375809437 / 1000.0,
+ 776.2927119017166 / 1000.0);
+ testSystem.addTBPfraction("C9", 0.5505907716430188, 116.06055719132209 / 1000.0,
+ 791.2983315058531 / 1000.0);
+ testSystem.addTBPfraction("C10", 1.9704404325720026, 221.831957 / 1000.0, 842.802708 / 1000.0);
+ testSystem.setMixingRule("classic");
+ testSystem.setMultiPhaseCheck(true);
+ testOps = new ThermodynamicOperations(testSystem);
+
+ for (int i = 0; i < 50; i++) {
+ testSystem.setTemperature(i, "C");
+ for (int j = 1; j < 50; j++) {
+ testSystem.setPressure(j, "bara");
+ try {
+ testOps.TPflash();
+ testSystem.initProperties();
+ } catch (Exception e) {
+ System.out.println("temperature " + testSystem.getTemperature("C") + " pressure "
+ + testSystem.getPressure("bara"));
+ e.printStackTrace();
+ assertTrue(false);
+ }
+ }
+ }
+
+
+ }
}
From 3b03850d26a5a5c140f2892d588b942d28e94bc6 Mon Sep 17 00:00:00 2001
From: Even Solbraa <41290109+EvenSol@users.noreply.github.com>
Date: Sun, 26 Nov 2023 18:32:21 +0100
Subject: [PATCH 3/4] improve flash in high pressure area (#862)
* improve flash
* update
---
.../flashOps/TPmultiflash.java | 358 +++++++++++++++++-
.../flashOps/TPFlashTest.java | 23 +-
2 files changed, 358 insertions(+), 23 deletions(-)
diff --git a/src/main/java/neqsim/thermodynamicOperations/flashOps/TPmultiflash.java b/src/main/java/neqsim/thermodynamicOperations/flashOps/TPmultiflash.java
index f910ff1837..b703d029a0 100644
--- a/src/main/java/neqsim/thermodynamicOperations/flashOps/TPmultiflash.java
+++ b/src/main/java/neqsim/thermodynamicOperations/flashOps/TPmultiflash.java
@@ -371,12 +371,361 @@ public void stabilityAnalysis() {
int iter = 0;
double errOld = 1.0e100;
boolean useaccsubst = true;
+ int maxsucssubiter = 50;
+ int maxiter = 100;
do {
errOld = err;
iter++;
err = 0;
- if (iter <= 150 || !system.isImplementedCompositionDeriativesofFugacity()) {
+ if (iter <= maxsucssubiter || !system.isImplementedCompositionDeriativesofFugacity()) {
+ if (iter % 7 == 0 && useaccsubst) {
+ double vec1 = 0.0;
+
+ double vec2 = 0.0;
+ double prod1 = 0.0;
+ double prod2 = 0.0;
+ for (i = 0; i < system.getPhase(0).getNumberOfComponents(); i++) {
+ vec1 = oldDeltalogWi[i] * oldoldDeltalogWi[i];
+ vec2 = Math.pow(oldoldDeltalogWi[i], 2.0);
+ prod1 += vec1 * vec2;
+ prod2 += vec2 * vec2;
+ }
+
+ double lambda = prod1 / prod2;
+ // logger.info("lambda " + lambda);
+ for (i = 0; i < system.getPhase(0).getNumberOfComponents(); i++) {
+ logWi[i] += lambda / (1.0 - lambda) * deltalogWi[i];
+ err += Math.abs((logWi[i] - oldlogw[i]) / oldlogw[i]);
+ Wi[j][i] = Math.exp(logWi[i]);
+ }
+ } else {
+ for (int i = 0; i < system.getPhase(0).getNumberOfComponents(); i++) {
+ oldoldoldlogw[i] = oldoldlogw[i];
+ oldoldlogw[i] = oldlogw[i];
+ oldlogw[i] = logWi[i];
+ oldoldDeltalogWi[i] = oldoldlogw[i] - oldoldoldlogw[i];
+ oldDeltalogWi[i] = oldlogw[i] - oldoldlogw[i];
+ }
+ clonedSystem.get(0).init(1, 1);
+ for (int i = 0; i < system.getPhase(0).getNumberOfComponents(); i++) {
+ // oldlogw[i] = logWi[i];
+ if (!Double.isInfinite(
+ clonedSystem.get(0).getPhase(1).getComponents()[i].getLogFugacityCoefficient())
+ && system.getPhase(0).getComponent(i).getx() > 1e-100) {
+ logWi[i] = d[i] - clonedSystem.get(0).getPhase(1).getComponents()[i]
+ .getLogFugacityCoefficient();
+ if (clonedSystem.get(0).getPhase(1).getComponents()[i].getIonicCharge() != 0) {
+ logWi[i] = -1000.0;
+ }
+ }
+ deltalogWi[i] = logWi[i] - oldlogw[i];
+ err += Math.abs(logWi[i] - oldlogw[i]);
+ Wi[j][i] = Math.exp(logWi[i]);
+ useaccsubst = true;
+ }
+ if (iter > 2 && err > errOld) {
+ useaccsubst = false;
+ }
+ }
+
+ } else {
+ SimpleMatrix f = new SimpleMatrix(system.getPhases()[0].getNumberOfComponents(), 1);
+ SimpleMatrix df = null;
+ SimpleMatrix identitytimesConst = null;
+ // if (!secondOrderStabilityAnalysis) {
+ for (int i = 0; i < system.getPhase(0).getNumberOfComponents(); i++) {
+ oldoldoldlogw[i] = oldoldlogw[i];
+ oldoldlogw[i] = oldlogw[i];
+ oldlogw[i] = logWi[i];
+ oldoldDeltalogWi[i] = oldoldlogw[i] - oldoldoldlogw[i];
+ oldDeltalogWi[i] = oldlogw[i] - oldoldlogw[i];
+ }
+ clonedSystem.get(0).init(3, 1);
+ alpha = new double[clonedSystem.get(0).getPhases()[0].getNumberOfComponents()];
+ df = new SimpleMatrix(system.getPhases()[0].getNumberOfComponents(),
+ system.getPhases()[0].getNumberOfComponents());
+ identitytimesConst = SimpleMatrix.identity(system.getPhases()[0].getNumberOfComponents());
+ // ,
+ // system.getPhases()[0].getNumberOfComponents());
+ // secondOrderStabilityAnalysis = true;
+ // }
+
+ for (int i = 0; i < clonedSystem.get(0).getPhases()[0].getNumberOfComponents(); i++) {
+ alpha[i] = 2.0 * Math.sqrt(Wi[j][i]);
+ }
+
+ for (int i = 0; i < system.getPhase(0).getNumberOfComponents(); i++) {
+ if (system.getPhase(0).getComponent(i).getz() > 1e-100) {
+ f.set(i, 0,
+ Math.sqrt(Wi[j][i])
+ * (Math.log(Wi[j][i]) + clonedSystem.get(0).getPhases()[1].getComponents()[i]
+ .getLogFugacityCoefficient() - d[i]));
+ }
+ for (int k = 0; k < clonedSystem.get(0).getPhases()[0].getNumberOfComponents(); k++) {
+ double kronDelt = (i == k) ? 1.0 : 0.0;
+ if (system.getPhase(0).getComponent(i).getz() > 1e-100) {
+ df.set(i, k, kronDelt + Math.sqrt(Wi[j][k] * Wi[j][i])
+ * clonedSystem.get(0).getPhases()[1].getComponents()[i].getdfugdn(k));
+ // * clonedSystem.getPhases()[j].getNumberOfMolesInPhase());
+ } else {
+ df.set(i, k, 0);
+ // * clonedSystem.getPhases()[j].getNumberOfMolesInPhase());
+ }
+ }
+ }
+
+ // f.print(10, 10);
+ // df.print(10, 10);
+ SimpleMatrix dx = null;
+ try {
+ dx = df.plus(identitytimesConst).solve(f).negative();
+ } catch (Exception e) {
+ dx = df.plus(identitytimesConst.scale(0.5)).solve(f).negative();
+ }
+
+ // dx.print(10, 10);
+
+ for (int i = 0; i < system.getPhase(0).getNumberOfComponents(); i++) {
+ double alphaNew = alpha[i] + dx.get(i, 0);
+ Wi[j][i] = Math.pow(alphaNew / 2.0, 2.0);
+ if (system.getPhase(0).getComponent(i).getz() > 1e-100) {
+ logWi[i] = Math.log(Wi[j][i]);
+ }
+ if (system.getPhase(0).getComponent(i).getIonicCharge() != 0) {
+ logWi[i] = -1000.0;
+ }
+ err += Math.abs((logWi[i] - oldlogw[i]) / oldlogw[i]);
+ }
+
+ // logger.info("err newton " + err);
+ }
+ // logger.info("err: " + err);
+ sumw[j] = 0;
+
+ for (int i = 0; i < system.getPhase(0).getNumberOfComponents(); i++) {
+ sumw[j] += Math.exp(logWi[i]);
+ }
+
+ for (int i = 0; i < system.getPhase(0).getNumberOfComponents(); i++) {
+ if (system.getPhase(0).getComponent(i).getx() > 1e-100) {
+ clonedSystem.get(0).getPhase(1).getComponents()[i].setx(Math.exp(logWi[i]) / sumw[j]);
+ }
+ if (system.getPhase(0).getComponent(i).getIonicCharge() != 0) {
+ clonedSystem.get(0).getPhase(1).getComponents()[i].setx(1e-50);
+ }
+ }
+ } while ((Math.abs(err) > 1e-9 || err > errOld) && iter < maxiter);
+ // logger.info("err: " + err + " ITER " + iter);
+ double xTrivialCheck0 = 0.0;
+ double xTrivialCheck1 = 0.0;
+
+ tm[j] = 1.0;
+
+ for (int i = 0; i < system.getPhase(1).getNumberOfComponents(); i++) {
+ if (system.getPhase(0).getComponent(i).getx() > 1e-100) {
+ tm[j] -= Math.exp(logWi[i]);
+ }
+ x[j][i] = clonedSystem.get(0).getPhase(1).getComponents()[i].getx();
+ // logger.info("txji: " + x[j][i]);
+
+ xTrivialCheck0 += Math.abs(x[j][i] - system.getPhase(0).getComponent(i).getx());
+ xTrivialCheck1 += Math.abs(x[j][i] - system.getPhase(1).getComponent(i).getx());
+ }
+ if (iter >= maxiter) {
+ // logger.info("iter > maxiter multiphase stability ");
+ // logger.info("error " + Math.abs(err));
+ // logger.info("tm: " + tm[j]);
+ }
+
+ if (Math.abs(xTrivialCheck0) < 1e-4 || Math.abs(xTrivialCheck1) < 1e-4) {
+ tm[j] = 10.0;
+ }
+
+ if (tm[j] < -1e-8) {
+ break;
+ }
+ }
+
+ int unstabcomp = 0;
+ for (int k = system.getPhase(0).getNumberOfComponents() - 1; k >= 0; k--) {
+ if (tm[k] < -1e-8 && !(Double.isNaN(tm[k]))) {
+ system.addPhase();
+ unstabcomp = k;
+ for (int i = 0; i < system.getPhase(1).getNumberOfComponents(); i++) {
+ system.getPhase(system.getNumberOfPhases() - 1).getComponents()[i].setx(x[k][i]);
+ }
+ system.getPhases()[system.getNumberOfPhases() - 1].normalize();
+ multiPhaseTest = true;
+ system.setBeta(system.getNumberOfPhases() - 1,
+ system.getPhase(0).getComponent(unstabcomp).getz());
+ system.init(1);
+ system.normalizeBeta();
+
+ // logger.info("STABILITY ANALYSIS: ");
+ // logger.info("tm1: " + k + " "+ tm[k]);
+ // system.display();
+ return;
+ }
+ }
+
+ system.normalizeBeta();
+ // logger.info("STABILITY ANALYSIS: ");
+ // logger.info("tm1: " + tm[0] + " tm2: " + tm[1]);
+ // system.display();
+ }
+
+ public void stabilityAnalysis3() {
+ double[] logWi = new double[system.getPhase(0).getNumberOfComponents()];
+ double[][] Wi = new double[system.getPhase(0).getNumberOfComponents()][system.getPhase(0)
+ .getNumberOfComponents()];
+
+ double[] deltalogWi = new double[system.getPhases()[0].getNumberOfComponents()];
+ double[] oldDeltalogWi = new double[system.getPhases()[0].getNumberOfComponents()];
+ double[] oldoldDeltalogWi = new double[system.getPhases()[0].getNumberOfComponents()];
+ double[] sumw = new double[system.getPhase(0).getNumberOfComponents()];
+ double err = 0;
+ double[] oldlogw = new double[system.getPhase(0).getNumberOfComponents()];
+ double[] oldoldlogw = new double[system.getPhases()[0].getNumberOfComponents()];
+ double[] oldoldoldlogw = new double[system.getPhases()[0].getNumberOfComponents()];
+ double[] d = new double[system.getPhase(0).getNumberOfComponents()];
+ double[][] x = new double[system.getPhase(0).getNumberOfComponents()][system.getPhase(0)
+ .getNumberOfComponents()];
+ tm = new double[system.getPhase(0).getNumberOfComponents()];
+
+ double[] alpha = null;
+ // SystemInterface minimumGibbsEnergySystem;
+ ArrayList clonedSystem = new ArrayList(1);
+ // if (minimumGibbsEnergySystem == null) {
+ // minimumGibbsEnergySystem = system.clone();
+ // }
+ minimumGibbsEnergySystem = system;
+ clonedSystem.add(system.clone());
+ /*
+ * for (int i = 0; i < system.getPhase(0).getNumberOfComponents(); i++) { if
+ * (system.getPhase(0).getComponent(i).getx() < 1e-100) { clonedSystem.add(null); continue; }
+ * double numb = 0; clonedSystem.add(system.clone());
+ *
+ * // (clonedSystem.get(i)).init(0); commented out sept 2005, Even S. for (int j = 0; j <
+ * system.getPhase(0).getNumberOfComponents(); j++) { numb = i == j ? 1.0 : 1.0e-12; // set to 0
+ * by Even Solbraa 23.01.2013 - chaged back to 1.0e-12 27.04.13 if
+ * (system.getPhase(0).getComponent(j).getz() < 1e-100) { numb = 0; } (
+ * clonedSystem.get(i)).getPhase(1).getComponents()[j].setx(numb); } if
+ * (system.getPhase(0).getComponent(i).getIonicCharge() == 0) { ( clonedSystem.get(i)).init(1);
+ * } }
+ */
+
+ lowestGibbsEnergyPhase = 0;
+ /*
+ * // logger.info("low gibbs phase " + lowestGibbsEnergyPhase); for (int k = 0; k <
+ * minimumGibbsEnergySystem.getPhase(0).getNumberOfComponents(); k++) { for (int i = 0; i <
+ * minimumGibbsEnergySystem.getPhase(0).getNumberOfComponents(); i++) { if (!((
+ * clonedSystem.get(k)) == null)) { sumw[k] += (
+ * clonedSystem.get(k)).getPhase(1).getComponents()[i].getx(); } } }
+ *
+ * for (int k = 0; k < minimumGibbsEnergySystem.getPhase(0).getNumberOfComponents(); k++) { for
+ * (int i = 0; i < minimumGibbsEnergySystem.getPhase(0).getNumberOfComponents(); i++) { if (!((
+ * clonedSystem.get(k)) == null) && system.getPhase(0).getComponent(k).getx() > 1e-100) { (
+ * clonedSystem.get(k)).getPhase(1).getComponents()[i].setx((
+ * clonedSystem.get(k)).getPhase(1).getComponents()[i].getx() / sumw[0]); } logger.info("x: " +
+ * ( clonedSystem.get(k)).getPhase(0).getComponents()[i].getx()); } if
+ * (system.getPhase(0).getComponent(k).getx() > 1e-100) { d[k] =
+ * Math.log(system.getPhase(0).getComponents()[k].getx()) +
+ * system.getPhase(0).getComponents()[k].getLogFugacityCoefficient();
+ * if(minimumGibbsEnergySystem.getPhases()[lowestGibbsEnergyPhase].getComponents
+ * ()[k].getIonicCharge()!=0) d[k]=0; } //logger.info("dk: " + d[k]); }
+ */
+ for (int k = 0; k < minimumGibbsEnergySystem.getPhase(0).getNumberOfComponents(); k++) {
+ if (system.getPhase(0).getComponent(k).getx() > 1e-100) {
+ d[k] = Math.log(system.getPhase(0).getComponents()[k].getx())
+ + system.getPhase(0).getComponents()[k].getLogFugacityCoefficient();
+ // if(minimumGibbsEnergySystem.getPhases()[lowestGibbsEnergyPhase].getComponents()[k].getIonicCharge()!=0)
+ // d[k]=0;
+ }
+ }
+
+ for (int j = 0; j < minimumGibbsEnergySystem.getPhase(0).getNumberOfComponents(); j++) {
+ if (system.getPhase(0).getComponent(j).getz() > 1e-100) {
+ logWi[j] = 1.0;
+ } else {
+ logWi[j] = -10000.0;
+ }
+ }
+
+ int hydrocarbonTestCompNumb = 0;
+ int lightTestCompNumb = 0;
+ double Mmax = 0;
+ double Mmin = 1e10;
+ for (int i = 0; i < minimumGibbsEnergySystem.getPhase(0).getNumberOfComponents(); i++) {
+ if (minimumGibbsEnergySystem.getPhase(0).getComponent(i).isHydrocarbon()) {
+ if ((minimumGibbsEnergySystem.getPhase(0).getComponent(i).getMolarMass()) > Mmax) {
+ Mmax = minimumGibbsEnergySystem.getPhase(0).getComponent(i).getMolarMass();
+ }
+ if ((minimumGibbsEnergySystem.getPhase(0).getComponent(i).getMolarMass()) < Mmin) {
+ Mmin = minimumGibbsEnergySystem.getPhase(0).getComponent(i).getMolarMass();
+ }
+ }
+ }
+
+ for (int i = 0; i < minimumGibbsEnergySystem.getPhase(0).getNumberOfComponents(); i++) {
+ if (minimumGibbsEnergySystem.getPhase(0).getComponent(i).isHydrocarbon()
+ && minimumGibbsEnergySystem.getPhase(0).getComponent(i).getz() > 1e-50) {
+ if (Math.abs(
+ (minimumGibbsEnergySystem.getPhase(0).getComponent(i).getMolarMass()) - Mmax) < 1e-5) {
+ hydrocarbonTestCompNumb = i;
+ // logger.info("CHECKING heavy component " + hydrocarbonTestCompNumb);
+ }
+ }
+
+ if (minimumGibbsEnergySystem.getPhase(0).getComponent(i).isHydrocarbon()
+ && minimumGibbsEnergySystem.getPhase(0).getComponent(i).getz() > 1e-50) {
+ if (Math.abs(
+ (minimumGibbsEnergySystem.getPhase(0).getComponent(i).getMolarMass()) - Mmin) < 1e-5) {
+ lightTestCompNumb = i;
+ // logger.info("CHECKING light component " + lightTestCompNumb);
+ }
+ }
+ }
+
+ for (int j = 0; j < system.getNumberOfComponents(); j++) {
+ if (minimumGibbsEnergySystem.getPhase(0).getComponent(j).getx() < 1e-100
+ || (minimumGibbsEnergySystem.getPhase(0).getComponent(j).getIonicCharge() != 0)
+ || (minimumGibbsEnergySystem.getPhase(0).getComponent(j).isHydrocarbon()
+ && j != hydrocarbonTestCompNumb && j != lightTestCompNumb)) {
+ continue;
+ }
+
+ double nomb = 0.0;
+ for (int cc = 0; cc < system.getPhase(0).getNumberOfComponents(); cc++) {
+ nomb = cc == j ? 1.0 : 1.0e-12;
+ if (system.getPhase(0).getComponent(cc).getz() < 1e-100) {
+ nomb = 0.0;
+ }
+
+ if (clonedSystem.get(0).isPhase(1)) {
+ try {
+ clonedSystem.get(0).getPhase(1).getComponents()[cc].setx(nomb);
+ } catch (Exception ex) {
+ logger.warn(ex.getMessage());
+ }
+ }
+ }
+ // if(minimumGibbsEnergySystem.getPhase(0).getComponent(j).getName().equals("water")
+ // && minimumGibbsEnergySystem.isChemicalSystem()) continue;
+ // logger.info("STAB CHECK COMP " +
+ // system.getPhase(0).getComponent(j).getComponentName());
+ // if(minimumGibbsEnergySystem.getPhase(0).getComponent(j).isInert()) break;
+ int iter = 0;
+ double errOld = 1.0e100;
+ boolean useaccsubst = true;
+ int maxsucssubiter = 50;
+ int maxiter = 100;
+ do {
+ errOld = err;
+ iter++;
+ err = 0;
+
+ if (iter <= maxsucssubiter || !system.isImplementedCompositionDeriativesofFugacity()) {
if (iter % 7 == 0 && useaccsubst) {
double vec1 = 0.0;
@@ -513,7 +862,7 @@ public void stabilityAnalysis() {
clonedSystem.get(0).getPhase(1).getComponents()[i].setx(1e-50);
}
}
- } while ((Math.abs(err) > 1e-9 || err > errOld) && iter < 600);
+ } while ((Math.abs(err) > 1e-9 || err > errOld) && iter < maxiter);
// logger.info("err: " + err + " ITER " + iter);
double xTrivialCheck0 = 0.0;
double xTrivialCheck1 = 0.0;
@@ -530,7 +879,7 @@ public void stabilityAnalysis() {
xTrivialCheck0 += Math.abs(x[j][i] - system.getPhase(0).getComponent(i).getx());
xTrivialCheck1 += Math.abs(x[j][i] - system.getPhase(1).getComponent(i).getx());
}
- if (iter >= 599) {
+ if (iter >= maxiter - 1) {
// logger.info("iter > maxiter multiphase stability ");
// logger.info("error " + Math.abs(err));
// logger.info("tm: " + tm[j]);
@@ -715,7 +1064,7 @@ public void stabilityAnalysis2() {
iter++;
err = 0;
- if (iter <= 20 || !system.isImplementedCompositionDeriativesofFugacity()) {
+ if (iter <= 150 || !system.isImplementedCompositionDeriativesofFugacity()) {
if (iter % 7 == 0) {
double vec1 = 0.0;
@@ -1028,6 +1377,7 @@ public void run() {
*/
if (hasRemovedPhase && !secondTime) {
secondTime = true;
+ stabilityAnalysis3();
run();
}
/*
diff --git a/src/test/java/neqsim/thermodynamicOperations/flashOps/TPFlashTest.java b/src/test/java/neqsim/thermodynamicOperations/flashOps/TPFlashTest.java
index 7a70177656..fcff3e2630 100644
--- a/src/test/java/neqsim/thermodynamicOperations/flashOps/TPFlashTest.java
+++ b/src/test/java/neqsim/thermodynamicOperations/flashOps/TPFlashTest.java
@@ -1,7 +1,6 @@
package neqsim.thermodynamicOperations.flashOps;
import static org.junit.jupiter.api.Assertions.assertEquals;
-import static org.junit.jupiter.api.Assertions.assertTrue;
import org.junit.jupiter.api.BeforeEach;
import org.junit.jupiter.api.Test;
import neqsim.thermodynamicOperations.ThermodynamicOperations;
@@ -143,7 +142,7 @@ void testRun6() {
@Test
void testTPflash1() {
- testSystem = new neqsim.thermo.system.SystemSrkEos(273.15 + 177.0, 316.0);
+ testSystem = new neqsim.thermo.system.SystemSrkEos(273.15 + 290, 400.0);
testSystem.addComponent("water", 65.93229747922976);
testSystem.addComponent("NaCl", 0.784426208131475);
testSystem.addComponent("nitrogen", 0.578509157534656);
@@ -166,23 +165,9 @@ void testTPflash1() {
testSystem.setMixingRule("classic");
testSystem.setMultiPhaseCheck(true);
testOps = new ThermodynamicOperations(testSystem);
-
- for (int i = 0; i < 50; i++) {
- testSystem.setTemperature(i, "C");
- for (int j = 1; j < 50; j++) {
- testSystem.setPressure(j, "bara");
- try {
- testOps.TPflash();
- testSystem.initProperties();
- } catch (Exception e) {
- System.out.println("temperature " + testSystem.getTemperature("C") + " pressure "
- + testSystem.getPressure("bara"));
- e.printStackTrace();
- assertTrue(false);
- }
- }
- }
-
+ testOps.TPflash();
+ assertEquals(2, testSystem.getNumberOfPhases());
+ // testSystem.prettyPrint();
}
}
From 865622cd53bdda2436e11d398c4b2037dd425e80 Mon Sep 17 00:00:00 2001
From: Even Solbraa <41290109+EvenSol@users.noreply.github.com>
Date: Sun, 26 Nov 2023 18:34:23 +0100
Subject: [PATCH 4/4] version 2.5.10 (#863)
---
pom.xml | 2 +-
pomJava8.xml | 2 +-
2 files changed, 2 insertions(+), 2 deletions(-)
diff --git a/pom.xml b/pom.xml
index 5661e44a97..2302fbf11c 100644
--- a/pom.xml
+++ b/pom.xml
@@ -10,7 +10,7 @@
${revision}${sha1}${changelist}
- 2.5.9
+ 2.5.10
UTF-8
UTF-8
diff --git a/pomJava8.xml b/pomJava8.xml
index d069e08646..9d43e81ab0 100644
--- a/pomJava8.xml
+++ b/pomJava8.xml
@@ -10,7 +10,7 @@
${revision}${sha1}${changelist}-Java8
- 2.5.9
+ 2.5.10
UTF-8
UTF-8