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fix bug in PC calculation for oil components and all tests (#1076)
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* fix bug in PC calculation for oil components and all tests

* fix slim tube test
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EvenSol authored Aug 12, 2024
1 parent 19251bb commit 1f14812
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Showing 26 changed files with 90 additions and 69 deletions.
Original file line number Diff line number Diff line change
Expand Up @@ -67,7 +67,7 @@ public double calcSurfaceTension(int interface1, int interface2) {
*/
public int getComponentWithHighestBoilingpoint() {
int compNumb = 0;
double boilPoint = -273.15;
double boilPoint = 0;
for (int i = 0; i < system.getPhase(0).getNumberOfComponents(); i++) {
if (system.getPhase(0).getComponent(i).getNormalBoilingPoint() > boilPoint) {
compNumb = i;
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Expand Up @@ -432,7 +432,7 @@ public void removeTBPfraction() {
ArrayList<String> list = new ArrayList<String>();
for (int i = 0; i < system.getPhase(0).getNumberOfComponents(); i++) {
double boilpoint = system.getPhase(0).getComponent(i).getNormalBoilingPoint();
if (boilpoint >= 69.0) {
if (boilpoint >= 273.15 + 69.0) {
list.add(system.getPhase(0).getComponent(i).getName());
}
}
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Expand Up @@ -62,7 +62,7 @@ public boolean groupTBPfractions() {

for (int i = 0; i < system.getPhase(0).getNumberOfComponents(); i++) {
// if (system.getPhase(0).getComponent(i).getComponentType().equals("HC")) {
double boilpoint = system.getPhase(0).getComponent(i).getNormalBoilingPoint();
double boilpoint = system.getPhase(0).getComponent(i).getNormalBoilingPoint("C");

if (boilpoint >= 331.0) {
numb = 13;
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26 changes: 6 additions & 20 deletions src/main/java/neqsim/thermo/characterization/TBPfractionModel.java
Original file line number Diff line number Diff line change
Expand Up @@ -155,7 +155,7 @@ public double calcPC(double molarMass, double density) {
TBPfractionCoefs = TBPfractionCoefsHeavyOil;
}

return 0.01325 + Math.exp(TBPfractionCoefs[1][0]
return Math.exp(0.01325 + TBPfractionCoefs[1][0]
+ TBPfractionCoefs[1][1] * Math.pow(density, TBPfractionCoefs[1][4])
+ TBPfractionCoefs[1][2] / molarMass + TBPfractionCoefs[1][3] / Math.pow(molarMass, 2.0));
}
Expand All @@ -173,26 +173,12 @@ public double calcm(double molarMass, double density) {

@Override
public double calcTB(double molarMass, double density) {
if (molarMass < 90) {
return 273.15 + 84;
}
if (molarMass < 107) {
return 273.15 + 116.6;
}
if (molarMass < 121) {
return 273.15 + 142.2;
}
if (molarMass < 134) {
return 273.15 + 165.8;
}
if (molarMass < 147) {
return 273.15 + 187.2;
}
if (molarMass < 161) {
return 273.15 + 208.3;
if (molarMass < 540) {
return 2E-06 * Math.pow(molarMass, 3) - 0.0035 * Math.pow(molarMass, 2) + 2.4003 * molarMass
+ 171.74;
} else {
return 97.58 * Math.pow(molarMass, 0.3323) * Math.pow(density, 0.04609);
}

return 97.58 * Math.pow(molarMass, 0.3323) * Math.pow(density, 0.04609);
}

@Override
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14 changes: 11 additions & 3 deletions src/main/java/neqsim/thermo/component/Component.java
Original file line number Diff line number Diff line change
Expand Up @@ -287,18 +287,18 @@ public void createComponent(String name, double moles, double molesInPhase, int
AntoineC = Double.parseDouble(dataSet.getString("ANTOINEC")); // AX
AntoineD = Double.parseDouble(dataSet.getString("ANTOINED"));
AntoineE = Double.parseDouble(dataSet.getString("ANTOINEE"));

normalBoilingPoint = Double.parseDouble(dataSet.getString("normboil")) + 273.15;
if (AntoineA == 0) {
AntoineA = 1.0;
AntoineB = getNormalBoilingPoint();
AntoineB = getNormalBoilingPoint() - 273.15;
}

AntoineASolid = Double.parseDouble(dataSet.getString("ANTOINESolidA"));
AntoineBSolid = Double.parseDouble(dataSet.getString("ANTOINESolidB"));
AntoineCSolid = Double.parseDouble(dataSet.getString("ANTOINESolidC"));

debyeDipoleMoment = Double.parseDouble(dataSet.getString("dipolemoment"));
normalBoilingPoint = Double.parseDouble(dataSet.getString("normboil"));

standardDensity = Double.parseDouble(dataSet.getString("stddens"));
viscosityCorrectionFactor = Double.parseDouble(dataSet.getString("viscfact")); // BC
racketZ = Double.parseDouble(dataSet.getString("racketZ")); // BE
Expand Down Expand Up @@ -1663,6 +1663,14 @@ public double getNormalBoilingPoint() {
return normalBoilingPoint;
}

/** {@inheritDoc} */
@Override
public double getNormalBoilingPoint(String unit) {
neqsim.util.unit.TemperatureUnit tempConversion =
new neqsim.util.unit.TemperatureUnit(getNormalBoilingPoint(), "K");
return tempConversion.getValue(unit);
}

/** {@inheritDoc} */
@Override
public void setNormalBoilingPoint(double normalBoilingPoint) {
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15 changes: 13 additions & 2 deletions src/main/java/neqsim/thermo/component/ComponentInterface.java
Original file line number Diff line number Diff line change
Expand Up @@ -921,16 +921,27 @@ public void Finit(PhaseInterface phase, double temperature, double pressure,
* Getter for property NormalBoilingPoint.
* </p>
*
* @return The normal boiling point of the component
* @return The normal boiling point of the component with unit Kelvin
*/
public double getNormalBoilingPoint();

/**
* <p>
* Getter for property NormalBoilingPoint.
* </p>
*
* @param unit Unit of return pressure
*
* @return The normal boiling point of the component
*/
public double getNormalBoilingPoint(String unit);

/**
* <p>
* setNormalBoilingPoint.
* </p>
*
* @param normalBoilingPoint a double
* @param normalBoilingPoint a double with unit Kelvin
*/
public void setNormalBoilingPoint(double normalBoilingPoint);

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2 changes: 1 addition & 1 deletion src/main/java/neqsim/thermo/phase/Phase.java
Original file line number Diff line number Diff line change
Expand Up @@ -1967,7 +1967,7 @@ public double[] groupTBPfractions() {
double[] TPBfrac = new double[20];

for (int i = 0; i < getNumberOfComponents(); i++) {
double boilpoint = getComponent(i).getNormalBoilingPoint();
double boilpoint = getComponent(i).getNormalBoilingPoint("C");

if (boilpoint >= 331.0) {
TPBfrac[19] += getComponent(i).getx();
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6 changes: 3 additions & 3 deletions src/main/java/neqsim/thermo/system/SystemThermo.java
Original file line number Diff line number Diff line change
Expand Up @@ -944,7 +944,7 @@ public void addTBPfraction(String componentName, double numberOfMoles, double mo
getPhase(i).getComponent(componentName).setMolarMass(molarMass);
getPhase(i).getComponent(componentName).setComponentType("TBPfraction");
getPhase(i).getComponent(componentName).setNormalLiquidDensity(density);
getPhase(i).getComponent(componentName).setNormalBoilingPoint(TB - 273.15);
getPhase(i).getComponent(componentName).setNormalBoilingPoint(TB);
getPhase(i).getComponent(componentName)
.setAcentricFactor(refSystem.getPhase(0).getComponent(0).getAcentricFactor());
getPhase(i).getComponent(componentName).setCriticalVolume(critVol);
Expand Down Expand Up @@ -1086,7 +1086,7 @@ public void addTBPfraction(String componentName, double numberOfMoles, double mo
getPhase(i).getComponent(componentName).setMolarMass(molarMass);
getPhase(i).getComponent(componentName).setComponentType("TBPfraction");
getPhase(i).getComponent(componentName).setNormalLiquidDensity(density);
getPhase(i).getComponent(componentName).setNormalBoilingPoint(TB - 273.15);
getPhase(i).getComponent(componentName).setNormalBoilingPoint(TB);
getPhase(i).getComponent(componentName)
.setAcentricFactor(refSystem.getPhase(0).getComponent(0).getAcentricFactor());
getPhase(i).getComponent(componentName).setCriticalVolume(critVol);
Expand Down Expand Up @@ -2552,7 +2552,7 @@ public double[] getNormalBoilingPointTemperatures() {
double[] bt = new double[numberOfComponents];

for (int compNumb = 0; compNumb < numberOfComponents; compNumb++) {
bt[compNumb] = getPhase(0).getComponent(compNumb).getNormalBoilingPoint() + 273.15;
bt[compNumb] = getPhase(0).getComponent(compNumb).getNormalBoilingPoint();
}
return bt;
}
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Original file line number Diff line number Diff line change
Expand Up @@ -51,8 +51,9 @@ void testRunCalc() {
assertEquals(2.1873758493453708E-4, CMEsim.getIsoThermalCompressibility()[0], 0.00001);
assertEquals(0.956122065, CMEsim.getRelativeVolume()[0], 0.001);
assertEquals(0.994254912, CMEsim.getRelativeVolume()[6], 0.001);
assertEquals(1.3486190, CMEsim.getRelativeVolume()[12], 0.001);
assertEquals(2.1400177022, CMEsim.getYfactor()[12], 0.001);
assertEquals(1.3572659252241415, CMEsim.getRelativeVolume()[12], 0.001);
assertEquals(2.153242696868525
, CMEsim.getYfactor()[12], 0.001);

}
}
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Original file line number Diff line number Diff line change
Expand Up @@ -40,7 +40,9 @@ void testRunCalc() {
new double[] {400, 300.0, 200.0, 100.0});
double[][] expData = {{0.95, 0.99, 1.0, 1.1}};
CVDsim.setExperimentalData(expData);
assertEquals(2.2458466, CVDsim.getRelativeVolume()[4], 0.001);
assertEquals(2.198101313307043

, CVDsim.getRelativeVolume()[4], 0.001);
}

@Test
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Expand Up @@ -40,25 +40,29 @@ void testRunCalc() {
SimulationInterface satPresSim = new SaturationPressure(tempSystem);
satPresSim.setTemperature(97.5, "C");
satPresSim.run();
assertEquals(190.7882175445, satPresSim.getThermoSystem().getPressure(), 0.1);
assertEquals(193.24093437194824, satPresSim.getThermoSystem().getPressure(), 0.1);
// tempSystem.prettyPrint();

double[] pressures = new double[] { 351.4, 323.2, 301.5, 275.9, 250.1, 226.1, 205.9, 179.1,
154.6, 132.1, 109.0, 78.6, 53.6, 22.0, 1.0 };
double[] pressures = new double[] {351.4, 323.2, 301.5, 275.9, 250.1, 226.1, 205.9, 179.1,
154.6, 132.1, 109.0, 78.6, 53.6, 22.0, 1.0};
DifferentialLiberation differentialLiberation = new DifferentialLiberation(tempSystem);
differentialLiberation.setPressures(pressures);
differentialLiberation.setTemperature(97.5, "C");
differentialLiberation.runCalc();

assertEquals(1.689644811955, differentialLiberation.getBo()[0], 0.001);
assertEquals(212.366545704, differentialLiberation.getRs()[0], 0.001);
assertEquals(677.27184, differentialLiberation.getOilDensity()[0], 0.001);
assertEquals(212.71942595049242
, differentialLiberation.getRs()[0], 0.001);
assertEquals(677.5970918499921
, differentialLiberation.getOilDensity()[0], 0.001);
assertEquals(1.7616805, differentialLiberation.getBo()[pressures.length - 9], 0.001);
assertEquals(1.312174206633, differentialLiberation.getBo()[pressures.length - 2], 0.001);
assertEquals(55.1339349, differentialLiberation.getRs()[pressures.length - 2], 0.001);
assertEquals(1.3111545517, differentialLiberation.getBo()[pressures.length - 2], 0.001);
assertEquals(55.10252632079461
, differentialLiberation.getRs()[pressures.length - 2], 0.001);
assertEquals(0.0556167850, differentialLiberation.getBg()[pressures.length - 2], 0.001);
assertEquals(1.0533007759, differentialLiberation.getBo()[pressures.length - 1], 0.001);
assertEquals(0.0, differentialLiberation.getRs()[pressures.length - 1], 0.001);
assertEquals(805.00070, differentialLiberation.getOilDensity()[pressures.length - 1], 0.001);
assertEquals(805.6468027140055
, differentialLiberation.getOilDensity()[pressures.length - 1], 0.001);
}
}
Original file line number Diff line number Diff line change
Expand Up @@ -49,7 +49,7 @@ void testCalcSaturationTemperature() {

SimulationInterface satPresSim = new SaturationTemperature(tempSystem);
satPresSim.run();
assertEquals(tempSystem.getTemperature(), 380.3071922, 0.1);
assertEquals(tempSystem.getTemperature(), 380.127567672, 0.1);
}

/**
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Original file line number Diff line number Diff line change
Expand Up @@ -45,6 +45,6 @@ void testRunCalc() {
sepSim.setSeparatorConditions(temps, pres);
sepSim.runCalc();

assertEquals(1.1245991497229437, sepSim.getBofactor()[4], 0.0001);
assertEquals(1.1224612120760051, sepSim.getBofactor()[4], 0.0001);
}
}
Original file line number Diff line number Diff line change
Expand Up @@ -30,7 +30,7 @@ void testRun() {
oilSystem.addTBPfraction("C17", 0.17, 234.0 / 1000.0, 0.84);
oilSystem.addTBPfraction("C18", 0.13, 251.0 / 1000.0, 0.844);
oilSystem.addTBPfraction("C19", 0.13, 270.0 / 1000.0, 0.854);
oilSystem.addPlusFraction("C20", 10.62, 381.0 / 1000.0, 0.88);
oilSystem.addPlusFraction("C20", 20.62, 381.0 / 1000.0, 0.88);
oilSystem.getCharacterization().characterisePlusFraction();
oilSystem.setMixingRule(2);

Expand Down
Original file line number Diff line number Diff line change
Expand Up @@ -24,6 +24,6 @@ void testRunCalc() {
sepSim.setExperimentalData(expData);
// sepSim.runTuning();
sepSim.runCalc();
assertEquals(4.420762033045493E-4, sepSim.getOilViscosity()[0], 0.000001);
assertEquals(4.443002015621749E-4, sepSim.getOilViscosity()[0], 0.000001);
}
}
Original file line number Diff line number Diff line change
Expand Up @@ -26,7 +26,8 @@ void testRunCalc() {
double[] pres = {5, 5, 5.0, 5.0, 5.0, 5.0, 5.0};
sepSim.setTemperaturesAndPressures(temps, pres);
sepSim.runCalc();
assertEquals(0.2661032806907, sepSim.getThermoSystem().getPhaseFraction("wax", "mass"), 0.001);
assertEquals(0.2683853533110433, sepSim.getThermoSystem().getPhaseFraction("wax", "mass"),
0.001);
}

@Test
Expand All @@ -50,6 +51,7 @@ void testRunCalc2() {
sepSim.setTemperaturesAndPressures(temps, pres);
sepSim.runCalc();
NeqSimDataBase.setCreateTemporaryTables(false);
assertEquals(0.24679416544, sepSim.getThermoSystem().getPhaseFraction("wax", "mass"), 0.001);
assertEquals(0.24895564649970403, sepSim.getThermoSystem().getPhaseFraction("wax", "mass"),
0.001);
}
}
Original file line number Diff line number Diff line change
Expand Up @@ -58,7 +58,8 @@ void testRun2() {
for (int i = 0; i < 10; i++) {
reservoirOps.runTransient(deltaTime);
}
Assertions.assertEquals(352.274030, reservoirOps.getReservoirFluid().getPressure("bara"), 0.1);
Assertions.assertEquals(355.19330033985693
, reservoirOps.getReservoirFluid().getPressure("bara"), 0.1);
Assertions.assertEquals(11.698, reservoirOps.getWaterProdution("Sm3/day"), 0.1);

reservoirOps.setLowPressureLimit(52.0e5, "Pa");
Expand Down
Original file line number Diff line number Diff line change
Expand Up @@ -80,10 +80,11 @@ public void testreservoirTPsim() {
operations.add(reservoirGasTPsim);
operations.add(MPFMgas);
operations.run();
assertEquals(8760.096083, MPFMgas.getMeasuredValue("GOR_std", ""), 1.0);
assertEquals(8834.875493073961, MPFMgas.getMeasuredValue("GOR_std", ""), 1.0);

reservoirGasTPsim.setPressure(150.0, "bara");
operations.run();
assertEquals(14880.1810, MPFMgas.getMeasuredValue("GOR_std", ""), 1.0);
assertEquals(14937.606339690177
, MPFMgas.getMeasuredValue("GOR_std", ""), 1.0);
}
}
Original file line number Diff line number Diff line change
Expand Up @@ -134,7 +134,8 @@ public void testProcess() {

operations.run();

assertEquals(2053.120373716, resycleScrubberStream.getFlowRate("kg/hr"), 0.1);
assertEquals(2046.8012652616517
, resycleScrubberStream.getFlowRate("kg/hr"), 0.1);

neqsim.processSimulation.processEquipment.compressor.CompressorChartGenerator compchartgenerator =
new neqsim.processSimulation.processEquipment.compressor.CompressorChartGenerator(
Expand Down
Original file line number Diff line number Diff line change
Expand Up @@ -117,7 +117,7 @@ public void runProcess() throws InterruptedException {

operations.run();

assertEquals(17195.25050, seprator3rdStage.getGasOutStream().getFlowRate("kg/hr"), 1.1);
assertEquals(17105.52983567356, seprator3rdStage.getGasOutStream().getFlowRate("kg/hr"), 1.1);

assertEquals(seprator3rdStage.getGasOutStream().getFlowRate("kg/hr"),
coolerLP.getOutletStream().getFlowRate("kg/hr"), 1e-4);
Expand Down
Original file line number Diff line number Diff line change
Expand Up @@ -39,13 +39,14 @@ void testCalculate2() {
standard.setMethodRVP("VPCR4");
standard.setReferenceTemperature(37.8, "C");
standard.calculate();
Assertions.assertEquals(3.604002003478, standard.getValue("RVP", "bara"), 1e-3);
Assertions.assertEquals(7.8448385024, standard.getValue("TVP", "bara"), 1e-3);
Assertions.assertEquals(3.6145219653041623, standard.getValue("RVP", "bara"), 1e-3);
Assertions.assertEquals(7.867696779327479, standard.getValue("TVP", "bara"), 1e-3);

standard.setMethodRVP("RVP_ASTM_D6377");
standard.setReferenceTemperature(37.8, "C");
standard.calculate();
Assertions.assertEquals(3.00573767, standard.getValue("RVP", "bara"), 1e-3);
Assertions.assertEquals(7.8448385024, standard.getValue("TVP", "bara"), 1e-3);
Assertions.assertEquals(3.014511319063671, standard.getValue("RVP", "bara"), 1e-3);
Assertions.assertEquals(7.867696779327479
, standard.getValue("TVP", "bara"), 1e-3);
}
}
Original file line number Diff line number Diff line change
Expand Up @@ -34,10 +34,12 @@ void testPedersenSRKModel() {
SystemInterface thermoSystem = new SystemSrkEos(298.0, 10.0);
thermoSystem.getCharacterization().setTBPModel("PedersenSRK");
thermoSystem.addTBPfraction("C7", 1.0, 110.0 / 1000.0, 0.73);
assertEquals(554.3185637098962, thermoSystem.getComponent(0).getTC(), 1e-3);
assertEquals(26.007549082822628, thermoSystem.getComponent(0).getPC(), 1e-3);
assertEquals(281.1685637, thermoSystem.getComponent(0).getTC() - 273.15, 1e-3);
assertEquals(26.341015469211726
, thermoSystem.getComponent(0).getPC(), 1e-3);
assertEquals(0.508241, thermoSystem.getComponent(0).getAcentricFactor(), 1e-3);
assertEquals(384.6714299777243, thermoSystem.getComponent(0).getCriticalVolume(), 1e-3);
assertEquals(426.46717439, thermoSystem.getComponent(0).getCriticalVolume(), 1e-3);
assertEquals(122.93500, thermoSystem.getComponent(0).getNormalBoilingPoint("C"), 1e-3);
}

@Test
Expand All @@ -46,10 +48,9 @@ void testPedersenPRModel() {
thermoSystem.getCharacterization().setTBPModel("PedersenPR");
thermoSystem.addTBPfraction("C7", 1.0, 110.0 / 1000.0, 0.73);
assertEquals(560.546, thermoSystem.getComponent(0).getTC(), 1e-3);
assertEquals(25.838137535018557, thermoSystem.getComponent(0).getPC(), 1e-3);
assertEquals(26.16934428134274, thermoSystem.getComponent(0).getPC(), 1e-3);
assertEquals(0.3838836222383, thermoSystem.getComponent(0).getAcentricFactor(), 1e-3);
assertEquals(405.0890245138075, thermoSystem.getComponent(0).getCriticalVolume(), 1e-3);
assertEquals(444.07282144, thermoSystem.getComponent(0).getCriticalVolume(), 1e-3);
assertEquals(122.93500, thermoSystem.getComponent(0).getNormalBoilingPoint("C"), 1e-3);
}


}
2 changes: 1 addition & 1 deletion src/test/java/neqsim/thermo/system/SystemThermoTest.java
Original file line number Diff line number Diff line change
Expand Up @@ -43,7 +43,7 @@ public void testCp() {
ThermodynamicOperations testOps = new ThermodynamicOperations(testSystem);
testOps.TPflash();
testSystem.initProperties();
assertEquals(2.0188664689245, testSystem.getPhase(1).getCp("kJ/kgK"), 1e-6);
assertEquals(2.00406932521, testSystem.getPhase(1).getCp("kJ/kgK"), 1e-6);
}

/**
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Original file line number Diff line number Diff line change
Expand Up @@ -135,7 +135,8 @@ void testRun6() {
testOps = new ThermodynamicOperations(testSystem5);
testOps.TPflash();
testSystem5.initProperties();
assertEquals(0.27697023508525664, testSystem5.getBeta(), 1e-6);
assertEquals(0.2838675588923609
, testSystem5.getBeta(), 1e-6);
assertEquals(3, testSystem5.getNumberOfPhases());
}

Expand Down
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