diff --git a/src/main/java/neqsim/thermo/phase/PhasePCSAFTRahmat.java b/src/main/java/neqsim/thermo/phase/PhasePCSAFTRahmat.java index bfb9af91f4..85d12306ca 100644 --- a/src/main/java/neqsim/thermo/phase/PhasePCSAFTRahmat.java +++ b/src/main/java/neqsim/thermo/phase/PhasePCSAFTRahmat.java @@ -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, @@ -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; - } - /** *

* calcF2dispZHCdNdNdN. @@ -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 /** *

@@ -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 /** *

@@ -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() { @@ -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 /** *

@@ -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() { @@ -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)); - } - /** *

* dF_DISP2_SAFTdVdVdV. @@ -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() { @@ -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();