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refact: Phase classes clean up #941

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Mar 7, 2024
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refact: Phase classes clean up #941

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bb448ad
remove redundant methods
asmfstatoil Feb 27, 2024
4297a56
style: whitespace
asmfstatoil Mar 7, 2024
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3 changes: 2 additions & 1 deletion src/main/java/neqsim/thermo/phase/Phase.java
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Original file line number Diff line number Diff line change
Expand Up @@ -337,7 +337,8 @@ public double getMixGibbsEnergy() {
for (int i = 0; i < numberOfComponents; i++) {
gmix += getComponent(i).getx() * Math.log(getComponent(i).getx());
}
return getExcessGibbsEnergy() + R * temperature * gmix * numberOfMolesInPhase;
// todo: is this correct?
return R * temperature * numberOfMolesInPhase * getExcessGibbsEnergy() * gmix;
}

/** {@inheritDoc} */
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3 changes: 1 addition & 2 deletions src/main/java/neqsim/thermo/phase/PhaseDesmukhMather.java
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Expand Up @@ -203,8 +203,7 @@ public double getExcessGibbsEnergy(PhaseInterface phase, int numberOfComponents,
GE += phase.getComponents()[i].getx() * Math.log(((ComponentDesmukhMather) componentArray[i])
.getGamma(phase, numberOfComponents, temperature, pressure, pt));
}
// System.out.println("ge " + GE);
return R * temperature * numberOfMolesInPhase * GE; // phase.getNumberOfMolesInPhase()*
return R * temperature * numberOfMolesInPhase * GE;
}

/** {@inheritDoc} */
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2 changes: 1 addition & 1 deletion src/main/java/neqsim/thermo/phase/PhaseDuanSun.java
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Expand Up @@ -111,7 +111,7 @@ public double getExcessGibbsEnergy(PhaseInterface phase, int numberOfComponents,
.getGammaPitzer(phase, numberOfComponents, temperature, pressure, pt, salinity));
}

return R * temperature * numberOfMolesInPhase * GE; // phase.getNumberOfMolesInPhase()*
return R * temperature * numberOfMolesInPhase * GE;
}

/** {@inheritDoc} */
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2 changes: 1 addition & 1 deletion src/main/java/neqsim/thermo/phase/PhaseGENRTL.java
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Expand Up @@ -124,7 +124,7 @@ public double getExcessGibbsEnergy(PhaseInterface phase, int numberOfComponents,
temperature, pressure, pt, alpha, Dij, intparam, mixRule));
}

return R * temperature * numberOfMolesInPhase * GE; // phase.getNumberOfMolesInPhase()*
return R * temperature * numberOfMolesInPhase * GE;
}

/** {@inheritDoc} */
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4 changes: 2 additions & 2 deletions src/main/java/neqsim/thermo/phase/PhaseGENRTLmodifiedHV.java
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Expand Up @@ -138,7 +138,7 @@ public double getExcessGibbsEnergy(PhaseInterface phase, int numberOfComponents,
temperature, pressure, pt, alpha, Dij, DijT, intparam, mixRule));
}
}
return (R * phase.getTemperature() * GE) * phase.getNumberOfMolesInPhase();
return R * phase.getTemperature() * phase.getNumberOfMolesInPhase() * GE;
}

/** {@inheritDoc} */
Expand All @@ -149,7 +149,7 @@ public double getGibbsEnergy() {
val +=
getComponent(i).getNumberOfMolesInPhase() * (getComponent(i).getLogFugacityCoefficient()); // +Math.log(getComponent(i).getx()*getComponent(i).getAntoineVaporPressure(temperature)));
}
return R * temperature * ((val) + Math.log(pressure) * numberOfMolesInPhase);
return R * temperature * numberOfMolesInPhase * (val + Math.log(pressure));
}

/** {@inheritDoc} */
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6 changes: 3 additions & 3 deletions src/main/java/neqsim/thermo/phase/PhaseGENRTLmodifiedWS.java
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Expand Up @@ -93,19 +93,19 @@ public void addComponent(String name, double moles, double molesInPhase, int com
@Override
public double getExcessGibbsEnergy(PhaseInterface phase, int numberOfComponents,
double temperature, double pressure, PhaseType pt) {
// TODO: why is GE a local variable?
double GE = 0;
for (int i = 0; i < numberOfComponents; i++) {
if (type == 0) {
GE += phase.getComponents()[i].getx()
* Math.log(((ComponentGEInterface) componentArray[i]).getGamma(phase,
numberOfComponents, temperature, pressure, pt, alpha, Dij, intparam, mixRule));
}
if (type == 1) {
} else if (type == 1) {
GE += phase.getComponents()[i].getx() * Math
.log(((ComponentGENRTLmodifiedWS) componentArray[i]).getGamma(phase, numberOfComponents,
temperature, pressure, pt, alpha, Dij, DijT, intparam, mixRule));
}
}
return R * temperature * GE * numberOfMolesInPhase;
return R * temperature * numberOfMolesInPhase * GE;
}
}
4 changes: 2 additions & 2 deletions src/main/java/neqsim/thermo/phase/PhaseGEUnifac.java
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Expand Up @@ -193,7 +193,7 @@ public double getExcessGibbsEnergy(PhaseInterface phase, int numberOfComponents,
GE += phase.getComponents()[i].getx() * Math.log(((ComponentGEUniquac) componentArray[i])
.getGamma(phase, numberOfComponents, temperature, pressure, pt));
}
return R * phase.getTemperature() * GE * phase.getNumberOfMolesInPhase();
return R * phase.getTemperature() * phase.getNumberOfMolesInPhase() * GE;
}

/** {@inheritDoc} */
Expand All @@ -204,7 +204,7 @@ public double getGibbsEnergy() {
val +=
getComponent(i).getNumberOfMolesInPhase() * (getComponent(i).getLogFugacityCoefficient());
}
return R * temperature * ((val) + Math.log(pressure) * numberOfMolesInPhase);
return R * temperature * numberOfMolesInPhase * (val + Math.log(pressure));
}

/**
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2 changes: 1 addition & 1 deletion src/main/java/neqsim/thermo/phase/PhaseGEUnifacPSRK.java
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Expand Up @@ -80,7 +80,7 @@ public double getExcessGibbsEnergy(PhaseInterface phase, int numberOfComponents,
GE += phase.getComponents()[i].getx() * Math.log(((ComponentGEUniquac) componentArray[i])
.getGamma(phase, numberOfComponents, temperature, pressure, pt));
}
return R * phase.getTemperature() * GE * phase.getNumberOfMolesInPhase(); // phase.getNumberOfMolesInPhase()*
return R * phase.getTemperature() * phase.getNumberOfMolesInPhase() * GE;
}

/**
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2 changes: 1 addition & 1 deletion src/main/java/neqsim/thermo/phase/PhaseGEUnifacUMRPRU.java
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Expand Up @@ -125,7 +125,7 @@ public double getExcessGibbsEnergy(PhaseInterface phase, int numberOfComponents,
GE += phase.getComponents()[i].getx() * Math.log(((ComponentGEUniquac) componentArray[i])
.getGamma(phase, numberOfComponents, temperature, pressure, pt));
}
return R * phase.getTemperature() * GE * phase.getNumberOfMolesInPhase();
return R * phase.getTemperature() * phase.getNumberOfMolesInPhase() * GE;
}

/**
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2 changes: 0 additions & 2 deletions src/main/java/neqsim/thermo/phase/PhasePCSAFT.java
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Expand Up @@ -334,7 +334,6 @@ public double calcmSAFT() {
*/
public double calcF1dispSumTerm() {
double temp1 = 0.0;

for (int i = 0; i < numberOfComponents; i++) {
for (int j = 0; j < numberOfComponents; j++) {
temp1 +=
Expand All @@ -358,7 +357,6 @@ public double calcF1dispSumTerm() {
*/
public double calcF2dispSumTerm() {
double temp1 = 0.0;

for (int i = 0; i < numberOfComponents; i++) {
for (int j = 0; j < numberOfComponents; j++) {
temp1 += getComponent(i).getNumberOfMolesInPhase()
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47 changes: 4 additions & 43 deletions src/main/java/neqsim/thermo/phase/PhasePCSAFTRahmat.java
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Expand Up @@ -15,12 +15,11 @@
*/
public class PhasePCSAFTRahmat extends PhasePCSAFT {
private static final long serialVersionUID = 1000;
static Logger logger = LogManager.getLogger(PhasePCSAFTRahmat.class);

double nSAFT = 1.0;
double dnSAFTdV = 1.0;

double dnSAFTdVdV = 1.0;

double dnSAFTdVdVdV = 1.0;

double dmeanSAFT = 0.0;
Expand All @@ -34,33 +33,22 @@ public class PhasePCSAFTRahmat extends PhasePCSAFT {
double volumeSAFT = 1.0;
double daHCSAFTdN = 1.0;
double daHSSAFTdN = 1.0;

double dgHSSAFTdN = 1.0;

double daHSSAFTdNdN = 1.0;

double dgHSSAFTdNdN = 1.0;

double daHSSAFTdNdNdN = 1.0;

double dgHSSAFTdNdNdN = 1.0;

// by Rahmat
double dNSAFTdT = 1.0;
double dF1dispVolTermdT = 0.0;
double dF1dispI1dT = 1.0;

double dF2dispI2dT = 1.0;

double dF2dispZHCdT = 1.0;
double dF1dispSumTermdT = 1.0;

double dF2dispSumTermdT = 1.0;

int useHS = 1;

int useDISP1 = 1;

int useDISP2 = 1;

private double[][] aConstSAFT = {
Expand All @@ -78,65 +66,35 @@ public class PhasePCSAFTRahmat extends PhasePCSAFT {
{0.0976883116, -0.2557574982, -9.1558561530, 20.642075974, -38.804430052, 93.626774077,
-29.666905585}};
private double F1dispVolTerm = 1.0;

private double F1dispSumTerm = 1.0;

private double F1dispI1 = 1.0;

private double F2dispI2 = 1.0;

private double F2dispZHC = 1.0;

private double F2dispZHCdN = 1.0;

private double F2dispZHCdm = 1.0;

private double F2dispZHCdV = 1.0;

private double F2dispI2dVdV;

private double F2dispI2dVdVdV = 0.0;

private double F2dispZHCdVdV = 1.0;

private double F2dispZHCdVdVdV = 1.0;

private double F1dispI1dNdN = 1.0;

private double F1dispI1dNdNdN = 1.0;

private double F1dispVolTermdV = 1.0;

private double F1dispVolTermdVdV = 1.0;

private double F1dispI1dN = 1.0;

private double F1dispI1dm = 1.0;

private double F1dispI1dV = 1.0;

private double F2dispI2dV = 1.0;

private double F2dispI2dN = 1.0;

private double F2dispI2dm = 1.0;

private double F2dispSumTerm = 0.0;

private double F2dispZHCdNdN = 1.0;

private double F2dispZHCdNdNdN = 1.0;

private double F2dispI2dNdN = 1.0;

private double F2dispI2dNdNdN = 1.0;

private double F1dispI1dVdV = 1.0;

private double F1dispI1dVdVdV = 1.0;

private double F1dispVolTermdVdVdV = 1.0;
static Logger logger = LogManager.getLogger(PhasePCSAFTRahmat.class);

/**
* <p>
Expand Down Expand Up @@ -171,10 +129,13 @@ public void addComponent(String name, double moles, double molesInPhase, int com
@Override
public void init(double totalNumberOfMoles, int numberOfComponents, int initType, PhaseType pt,
double beta) {
// missing?
// if (initType > 0) {
for (int i = 0; i < numberOfComponents; i++) {
componentArray[i].Finit(this, temperature, pressure, totalNumberOfMoles, beta,
numberOfComponents, initType);
}
// }
super.init(totalNumberOfMoles, numberOfComponents, initType, pt, beta);
}

Expand Down
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