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Ref rahmat #944

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Ref rahmat #944

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c8688b0
remove redundant methods
asmfstatoil Feb 27, 2024
324ce1e
Merge branch 'master' into ref_rahmat
asmfstatoil Mar 8, 2024
df79f70
Merge branch 'master' into ref_rahmat
asmfstatoil Mar 8, 2024
a1c16a3
Merge branch 'master' into ref_rahmat
asmfstatoil Mar 9, 2024
17ca126
Merge branch 'master' into ref_rahmat
asmfstatoil Mar 9, 2024
df8384c
Merge branch 'master' into ref_rahmat
asmfstatoil Mar 14, 2024
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274 changes: 0 additions & 274 deletions src/main/java/neqsim/thermo/phase/PhasePCSAFTRahmat.java
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Original file line number Diff line number Diff line change
Expand Up @@ -63,13 +63,6 @@ public PhasePCSAFTRahmat clone() {
return clonedPhase;
}

/** {@inheritDoc} */
@Override
public void addComponent(String name, double moles, double molesInPhase, int compNumber) {
super.addComponent(name, molesInPhase);
componentArray[compNumber] = new ComponentPCSAFT(name, moles, molesInPhase, compNumber);
}

/** {@inheritDoc} */
@Override
public void init(double totalNumberOfMoles, int numberOfComponents, int initType, PhaseType pt,
Expand Down Expand Up @@ -206,100 +199,6 @@ public void volInit() {
+ F2dispZHCdN * dnSAFTdVdVdV;
}

/** {@inheritDoc} */
@Override
public double calcF2dispZHC() {
double temp = 1.0
+ getmSAFT() * (8.0 * getNSAFT() - 2.0 * Math.pow(getNSAFT(), 2.0))
/ Math.pow(1.0 - getNSAFT(), 4.0)
+ (1.0 - getmSAFT())
* (20 * getNSAFT() - 27 * Math.pow(getNSAFT(), 2.0) + 12 * Math.pow(getNSAFT(), 3.0)
- 2 * Math.pow(getNSAFT(), 4.0))
/ Math.pow((1.0 - getNSAFT()) * (2.0 - getNSAFT()), 2.0);
return 1.0 / temp;
}

/** {@inheritDoc} */
@Override
public double calcF2dispZHCdm() {
double temp = -Math.pow(F2dispZHC, 2.0);
return temp
* ((8.0 * getNSAFT() - 2.0 * Math.pow(getNSAFT(), 2.0)) / Math.pow(1.0 - getNSAFT(), 4.0)
- (20 * getNSAFT() - 27 * Math.pow(getNSAFT(), 2.0) + 12 * Math.pow(getNSAFT(), 3.0)
- 2 * Math.pow(getNSAFT(), 4.0))
/ Math.pow((1.0 - getNSAFT()) * (2.0 - getNSAFT()), 2.0));
}

/** {@inheritDoc} */
@Override
public double calcF2dispZHCdN() {
double temp0 = -Math.pow(F2dispZHC, 2.0);
double temp1 = Math.pow((1.0 - getNSAFT()) * (2.0 - getNSAFT()), 2.0);
double temp2 = 20.0 * getNSAFT() - 27.0 * Math.pow(getNSAFT(), 2.0)
+ 12.0 * Math.pow(getNSAFT(), 3.0) - 2.0 * Math.pow(getNSAFT(), 4.0);
// ikke rett implementert
return temp0 * (getmSAFT()
* ((8.0 - 4.0 * getNSAFT()) * Math.pow(1.0 - getNSAFT(), 4.0)
- 4.0 * Math.pow(1.0 - getNSAFT(), 3.0) * (-1.0)
* (8.0 * getNSAFT() - 2.0 * Math.pow(getNSAFT(), 2.0)))
/ Math.pow(1.0 - getNSAFT(), 8.0)
+ (1.0 - getmSAFT()) * ((20.0 - (2.0 * 27.0) * getNSAFT()
+ (12.0 * 3.0) * Math.pow(getNSAFT(), 2.0) - 8.0 * Math.pow(getNSAFT(), 3.0)) * temp1
- (2.0 * (2.0 - 3.0 * getNSAFT() + Math.pow(getNSAFT(), 2.0))
* (-3.0 + 2.0 * getNSAFT())) * temp2)
/ Math.pow(temp1, 2.0));
}

/** {@inheritDoc} */
@Override
public double calcF2dispZHCdNdN() {
double temp0 = 2.0 * Math.pow(F2dispZHC, 3.0);
double temp1 = Math.pow((1.0 - getNSAFT()) * (2.0 - getNSAFT()), 2.0);
double temp11 = Math.pow((1.0 - getNSAFT()) * (2.0 - getNSAFT()), 3.0);
double temp2 = 20.0 * getNSAFT() - 27.0 * Math.pow(getNSAFT(), 2.0)
+ 12.0 * Math.pow(getNSAFT(), 3.0) - 2.0 * Math.pow(getNSAFT(), 4.0);

double temp1der =
2.0 * (2.0 - 3.0 * getNSAFT() + Math.pow(getNSAFT(), 2.0)) * (-3.0 + 2.0 * getNSAFT());
double temp11der = 3.0 * Math.pow(2.0 - 3.0 * getNSAFT() + Math.pow(getNSAFT(), 2.0), 2.0)
* (-3.0 + 2.0 * getNSAFT());
// ikke rett implementert
double temp3 = (getmSAFT()
* ((8.0 - 4.0 * getNSAFT()) * Math.pow(1.0 - getNSAFT(), 4.0)
- 4.0 * Math.pow(1.0 - getNSAFT(), 3.0) * (-1.0)
* (8.0 * getNSAFT() - 2.0 * Math.pow(getNSAFT(), 2.0)))
/ Math.pow(1.0 - getNSAFT(), 8.0)
+ (1.0 - getmSAFT()) * ((20.0 - (2.0 * 27.0) * getNSAFT()
+ (12.0 * 3.0) * Math.pow(getNSAFT(), 2.0) - 8.0 * Math.pow(getNSAFT(), 3.0)) * temp1
- (2.0 * (2.0 - 3.0 * getNSAFT() + Math.pow(getNSAFT(), 2.0))
* (-3.0 + 2.0 * getNSAFT())) * temp2)
/ Math.pow(temp1, 2.0));

double temp4 = -Math.pow(F2dispZHC, 2.0);
double dZdndn = getmSAFT()
* ((-4.0 * Math.pow(1.0 - getNSAFT(), 4.0)
- 4.0 * Math.pow(1.0 - getNSAFT(), 3.0) * (-1.0) * (8.0 - 4.0 * getNSAFT()))
/ Math.pow(1.0 - getNSAFT(), 8.0)
+ ((32.0 - 16.0 * getNSAFT()) * Math.pow(1.0 - getNSAFT(), 5.0)
- 5.0 * Math.pow(1.0 - getNSAFT(), 4.0) * (-1.0)
* (32.0 * getNSAFT() - 8.0 * Math.pow(getNSAFT(), 2.0)))
/ Math.pow(1.0 - getNSAFT(), 10.0))
+ (1.0 - getmSAFT())
* (((-54.0 + 72.0 * getNSAFT() - 24.0 * Math.pow(getNSAFT(), 2.0)) * temp1
- temp1der * (20.0 - 54.0 * getNSAFT() + 36.0 * Math.pow(getNSAFT(), 2.0)
- 8.0 * Math.pow(getNSAFT(), 3.0)))
/ Math.pow(temp1, 2.0)
- ((-40.0 * Math.pow(getNSAFT(), 4.0) + 240.0 * Math.pow(getNSAFT(), 3.0)
- 3.0 * 180.0 * Math.pow(getNSAFT(), 2.0) + 242.0 * 2.0 * getNSAFT() - 120.0)
* temp11
- temp11der * (-8.0 * Math.pow(getNSAFT(), 5.0)
+ 60.0 * Math.pow(getNSAFT(), 4.0) - 180.0 * Math.pow(getNSAFT(), 3.0)
+ 242.0 * Math.pow(getNSAFT(), 2.0) - 120.0 * getNSAFT()))
/ Math.pow(temp11, 2.0));

return temp0 * Math.pow(temp3, 2.0) + temp4 * dZdndn;
}

/**
* <p>
* calcF2dispZHCdNdNdN.
Expand Down Expand Up @@ -457,37 +356,6 @@ public double calcdF2dispZHCdT() {
return temp0 * (temp1 + temp2);
}

/** {@inheritDoc} */
@Override
public double calcmSAFT() {
double temp2 = 0.0;
for (int i = 0; i < numberOfComponents; i++) {
temp2 += getComponent(i).getNumberOfMolesInPhase() * getComponent(i).getmSAFTi()
/ getNumberOfMolesInPhase();
}

return temp2;
}

/** {@inheritDoc} */
@Override
public double calcF1dispSumTerm() {
double temp1 = 0.0;

for (int i = 0; i < numberOfComponents; i++) {
for (int j = 0; j < numberOfComponents; j++) {
temp1 +=
getComponent(i).getNumberOfMolesInPhase() * getComponent(j).getNumberOfMolesInPhase()
* getComponent(i).getmSAFTi() * getComponent(j).getmSAFTi()
* Math.sqrt(getComponent(i).getEpsikSAFT() / temperature
* getComponent(j).getEpsikSAFT() / temperature)
* (1.0 - mixRule.getBinaryInteractionParameter(i, j)) * Math.pow(
0.5 * (getComponent(i).getSigmaSAFTi() + getComponent(j).getSigmaSAFTi()), 3.0);
}
}
return temp1 / Math.pow(getNumberOfMolesInPhase(), 2.0);
}

// added by rahmat
/**
* <p>
Expand Down Expand Up @@ -539,43 +407,6 @@ public double calcdF2dispSumTermdT() {
return temp1 / Math.pow(getNumberOfMolesInPhase(), 2.0);
}

/** {@inheritDoc} */
@Override
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()
* getComponent(j).getNumberOfMolesInPhase() * getComponent(i).getmSAFTi()
* getComponent(j).getmSAFTi() * getComponent(i).getEpsikSAFT() / temperature
* getComponent(j).getEpsikSAFT() / temperature
* Math.pow((1.0 - mixRule.getBinaryInteractionParameter(i, j)), 2.0) * Math.pow(
0.5 * (getComponent(i).getSigmaSAFTi() + getComponent(j).getSigmaSAFTi()), 3.0);
}
}
return temp1 / Math.pow(getNumberOfMolesInPhase(), 2.0);
}

/** {@inheritDoc} */
@Override
public double calcF1dispI1dN() {
double temp1 = 0.0;
for (int i = 1; i < 7; i++) {
temp1 += i * getaSAFT(i, getmSAFT(), aConstSAFT) * Math.pow(getNSAFT(), i - 1.0);
}
return temp1;
}

/** {@inheritDoc} */
@Override
public double calcF1dispI1dNdN() {
double temp1 = 0.0;
for (int i = 2; i < 7; i++) {
temp1 += (i - 1.0) * i * getaSAFT(i, getmSAFT(), aConstSAFT) * Math.pow(getNSAFT(), i - 2.0);
}
return temp1;
}

// added by Rahmat
/**
* <p>
Expand All @@ -593,16 +424,6 @@ public double calcF1dispI1dNdNdN() {
return temp1;
}

/** {@inheritDoc} */
@Override
public double calcF1dispI1dm() {
double temp1 = 0.0;
for (int i = 0; i < 7; i++) {
temp1 += getaSAFTdm(i, getmSAFT(), aConstSAFT) * Math.pow(getNSAFT(), i);
}
return temp1;
}

/** {@inheritDoc} */
@Override
public double calcF2dispI2dN() {
Expand Down Expand Up @@ -639,26 +460,6 @@ public double calcF2dispI2dNdNdN() {
return temp1;
}

/** {@inheritDoc} */
@Override
public double calcF2dispI2dm() {
double temp1 = 0.0;
for (int i = 0; i < 7; i++) {
temp1 += getaSAFTdm(i, getmSAFT(), bConstSAFT) * Math.pow(getNSAFT(), i);
}
return temp1;
}

/** {@inheritDoc} */
@Override
public double calcF1dispI1() {
double temp1 = 0.0;
for (int i = 0; i < 7; i++) {
temp1 += getaSAFT(i, getmSAFT(), aConstSAFT) * Math.pow(getNSAFT(), i);
}
return temp1;
}

// added by rahmat
/**
* <p>
Expand Down Expand Up @@ -846,15 +647,6 @@ public double F_DISP1_SAFT() {
* getF1dispVolTerm() * getF1dispSumTerm() * getF1dispI1()); // (ThermodynamicConstantsInterface.R*temperature);
}

/** {@inheritDoc} */
@Override
public double dF_DISP1_SAFTdV() {
return getNumberOfMolesInPhase() * (-2.0 * ThermodynamicConstantsInterface.pi * F1dispVolTermdV
* getF1dispSumTerm() * getF1dispI1()
- 2.0 * ThermodynamicConstantsInterface.pi * F1dispVolTerm * getF1dispSumTerm()
* F1dispI1dV); // (ThermodynamicConstantsInterface.R*temperature);
}

/** {@inheritDoc} */
@Override
public double dF_DISP1_SAFTdVdV() {
Expand Down Expand Up @@ -933,40 +725,6 @@ public double F_DISP2_SAFT() {
// (ThermodynamicConstantsInterface.R*temperature);
}

/** {@inheritDoc} */
@Override
public double dF_DISP2_SAFTdV() {
return getNumberOfMolesInPhase() * (-ThermodynamicConstantsInterface.pi * getmSAFT()
* F1dispVolTermdV * getF2dispSumTerm() * getF2dispI2() * getF2dispZHC()
- ThermodynamicConstantsInterface.pi * getmSAFT() * F1dispVolTerm * getF2dispSumTerm()
* F2dispI2dV * getF2dispZHC()
- ThermodynamicConstantsInterface.pi * getmSAFT() * F1dispVolTerm * getF2dispSumTerm()
* getF2dispI2() * F2dispZHCdV); // (ThermodynamicConstantsInterface.R*temperature);
}

/** {@inheritDoc} */
@Override
public double dF_DISP2_SAFTdVdV() {
return getNumberOfMolesInPhase() * ((-ThermodynamicConstantsInterface.pi * getmSAFT()
* F1dispVolTermdVdV * getF2dispSumTerm() * getF2dispI2() * getF2dispZHC())
- (ThermodynamicConstantsInterface.pi * getmSAFT() * F1dispVolTermdV * getF2dispSumTerm()
* getF2dispZHC() * F2dispI2dV)
- (ThermodynamicConstantsInterface.pi * getmSAFT() * F1dispVolTermdV * getF2dispSumTerm()
* getF2dispI2() * F2dispZHCdV)
- ThermodynamicConstantsInterface.pi * getmSAFT() * F1dispVolTermdV * getF2dispSumTerm()
* F2dispI2dV * getF2dispZHC()
- ThermodynamicConstantsInterface.pi * getmSAFT() * F1dispVolTerm * getF2dispSumTerm()
* F2dispI2dVdV * getF2dispZHC()
- ThermodynamicConstantsInterface.pi * getmSAFT() * F1dispVolTerm * getF2dispSumTerm()
* F2dispI2dV * F2dispZHCdV
- (ThermodynamicConstantsInterface.pi * getmSAFT() * F1dispVolTermdV * getF2dispSumTerm()
* getF2dispI2() * F2dispZHCdV)
- (ThermodynamicConstantsInterface.pi * getmSAFT() * F1dispVolTerm * getF2dispSumTerm()
* F2dispI2dV * F2dispZHCdV)
- (ThermodynamicConstantsInterface.pi * getmSAFT() * F1dispVolTerm * getF2dispSumTerm()
* getF2dispI2() * F2dispZHCdVdV));
}

/**
* <p>
* dF_DISP2_SAFTdVdVdV.
Expand Down Expand Up @@ -1049,37 +807,6 @@ public double dF_DISP2_SAFTdVdVdV() {
* getF2dispI2() * F2dispZHCdVdVdV));
}

/** {@inheritDoc} */
@Override
public double getF() {
// System.out.println("F-HC " + useHS*F_HC_SAFT());

// System.out.println("F-DISP1 " + useDISP1*F_DISP1_SAFT());

// System.out.println("F-DISP2 " + useDISP2*F_DISP2_SAFT());
return useHS * F_HC_SAFT() + useDISP1 * F_DISP1_SAFT() + useDISP2 * F_DISP2_SAFT();
}

/** {@inheritDoc} */
@Override
public double dFdV() {
// System.out.println("N-saft " + getNSAFT());
// System.out.println("F-HC " + useHS*F_HC_SAFT());
// System.out.println("F-DISP1 " + useDISP1*F_DISP1_SAFT());

// System.out.println("F-DISP2 " + useDISP2*F_DISP2_SAFT());

return (useHS * dF_HC_SAFTdV() + useDISP1 * dF_DISP1_SAFTdV() + useDISP2 * dF_DISP2_SAFTdV())
* 1.0e-5;
}

/** {@inheritDoc} */
@Override
public double dFdVdV() {
return (useHS * dF_HC_SAFTdVdV() + useDISP1 * dF_DISP1_SAFTdVdV()
+ useDISP2 * dF_DISP2_SAFTdVdV()) * 1.0e-10;
}

/** {@inheritDoc} */
@Override
public double dFdVdVdV() {
Expand Down Expand Up @@ -1138,7 +865,6 @@ public double molarVolume(double pressure, double temperature, double A, double
setMolarVolume(1.0 / BonV * Btemp / numberOfMolesInPhase);
int iterations = 0;
double oldMolarVolume = 0.0;
// System.out.println("volume " + getVolume());
do {
iterations++;
this.volInit();
Expand Down
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