refact: Phase classes clean up (#941)

equinor · Mar 7, 2024 · d71c203 · d71c203
1 parent 3a4b21e
commit d71c203
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Showing 11 changed files with 18 additions and 59 deletions.
diff --git a/src/main/java/neqsim/thermo/phase/Phase.java b/src/main/java/neqsim/thermo/phase/Phase.java
@@ -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} */

diff --git a/src/main/java/neqsim/thermo/phase/PhaseDesmukhMather.java b/src/main/java/neqsim/thermo/phase/PhaseDesmukhMather.java
@@ -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} */

diff --git a/src/main/java/neqsim/thermo/phase/PhaseDuanSun.java b/src/main/java/neqsim/thermo/phase/PhaseDuanSun.java
@@ -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} */

diff --git a/src/main/java/neqsim/thermo/phase/PhaseGENRTL.java b/src/main/java/neqsim/thermo/phase/PhaseGENRTL.java
@@ -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} */

diff --git a/src/main/java/neqsim/thermo/phase/PhaseGENRTLmodifiedHV.java b/src/main/java/neqsim/thermo/phase/PhaseGENRTLmodifiedHV.java
@@ -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} */
@@ -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} */

diff --git a/src/main/java/neqsim/thermo/phase/PhaseGENRTLmodifiedWS.java b/src/main/java/neqsim/thermo/phase/PhaseGENRTLmodifiedWS.java
@@ -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;
   }
 }
diff --git a/src/main/java/neqsim/thermo/phase/PhaseGEUnifac.java b/src/main/java/neqsim/thermo/phase/PhaseGEUnifac.java
@@ -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} */
@@ -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));
   }
 
   /**

diff --git a/src/main/java/neqsim/thermo/phase/PhaseGEUnifacPSRK.java b/src/main/java/neqsim/thermo/phase/PhaseGEUnifacPSRK.java
@@ -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;
   }
 
   /**

diff --git a/src/main/java/neqsim/thermo/phase/PhaseGEUnifacUMRPRU.java b/src/main/java/neqsim/thermo/phase/PhaseGEUnifacUMRPRU.java
@@ -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;
   }
 
   /**

diff --git a/src/main/java/neqsim/thermo/phase/PhasePCSAFT.java b/src/main/java/neqsim/thermo/phase/PhasePCSAFT.java
@@ -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 +=
@@ -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()

diff --git a/src/main/java/neqsim/thermo/phase/PhasePCSAFTRahmat.java b/src/main/java/neqsim/thermo/phase/PhasePCSAFTRahmat.java
@@ -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;
@@ -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 = {
@@ -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>
@@ -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);
   }