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equinor · Nov 25, 2024 · 3a114e1 · 3a114e1
1 parent 60f5602
commit 3a114e1
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Showing 16 changed files with 108 additions and 106 deletions.
diff --git a/src/main/java/neqsim/fluidmechanics/flownode/FlowNode.java b/src/main/java/neqsim/fluidmechanics/flownode/FlowNode.java
@@ -282,10 +282,7 @@ public FlowNode clone() {
   /** {@inheritDoc} */
   @Override
   public void init() {
-    bulkSystem.initBeta();
-    bulkSystem.init_x_y();
-    bulkSystem.init(3);
-    bulkSystem.initPhysicalProperties();
+    initBulkSystem();
   }
 
   /** {@inheritDoc} */

diff --git a/src/main/java/neqsim/fluidmechanics/flownode/FlowNodeInterface.java b/src/main/java/neqsim/fluidmechanics/flownode/FlowNodeInterface.java
@@ -51,6 +51,13 @@ public interface FlowNodeInterface extends Cloneable {
    */
   public void init();
 
+  /**
+   * <p>
+   * initBulkSystem.
+   * </p>
+   */
+  public void initBulkSystem();
+
   /**
    * <p>
    * getVelocity.
@@ -700,13 +707,6 @@ public default void setVelocityIn(DoubleCloneable vel) {
   // public double calcdVoiddz();
   // public double[] calcdxdz();
 
-  /**
-   * <p>
-   * initBulkSystem.
-   * </p>
-   */
-  public void initBulkSystem();
-
   /**
    * <p>
    * display.

diff --git a/src/main/java/neqsim/thermo/component/ComponentDesmukhMather.java b/src/main/java/neqsim/thermo/component/ComponentDesmukhMather.java
@@ -58,6 +58,7 @@ public ComponentDesmukhMather(String name, double moles, double molesInPhase, in
   public double getGamma(PhaseInterface phase, int numberOfComponents, double temperature,
       double pressure, PhaseType pt, double[][] HValpha, double[][] HVgij, double[][] intparam,
       String[][] mixRule) {
+    // not implemented
     return getGamma(phase, numberOfComponents, temperature, pressure, pt);
   }
 

diff --git a/src/main/java/neqsim/thermo/component/ComponentGeDuanSun.java b/src/main/java/neqsim/thermo/component/ComponentGeDuanSun.java
@@ -82,7 +82,6 @@ public double getGamma(PhaseInterface phase, int numberOfComponents, double temp
    */
   public double getGammaNRTL(PhaseInterface phase, int numberOfComponents, double temperature,
       double pressure, PhaseType pt, double[][] HValpha, double[][] HVgij) {
-    double type = phase.getInitType();
     // double ny = 0, Djj = 0, Dii = 0, gij = 0, gjj = 0, gji = 0, gii = 0, F2T = 0, tot2 = 0;
     double A = 0;
     double B = 0;
@@ -237,7 +236,7 @@ public double getGammaNRTL(PhaseInterface phase, int numberOfComponents, double
     gamma = Math.exp(lngamma);
     // System.out.println("gamma " +gamma);
     // if derivates....
-    if (type == 3) {
+    if (phase.getInitType() == 3) {
       double dAdn = 0;
       double dBdn = 0;
       double Etemp = 0;

diff --git a/src/main/java/neqsim/thermo/component/ComponentGeNRTL.java b/src/main/java/neqsim/thermo/component/ComponentGeNRTL.java
@@ -34,68 +34,34 @@ public ComponentGeNRTL(String name, double moles, double molesInPhase, int compI
 
   /** {@inheritDoc} */
   @Override
-  @SuppressWarnings("unused")
   public double getGamma(PhaseInterface phase, int numberOfComponents, double temperature,
       double pressure, PhaseType pt, double[][] HValpha, double[][] HVgij, double[][] intparam,
       String[][] mixRule) {
-    double type = phase.getInitType();
-    double A = 0;
-    double B = 0;
-    double C = 0;
-    double D = 0;
     double E = 0;
-    double F = 0;
-    double ny = 0;
     double tau = 0;
     double tau2 = 0;
     double G = 0;
     double G2 = 0;
-    double alpha = 0;
-    double Dij = 0;
-    double Djj = 0;
-    double Dji = 0;
-    double Dii = 0;
-    double gij = 0;
-    double gjj = 0;
-    double gji = 0;
-    double gii = 0;
-    double F2T = 0;
-    double tot2 = 0;
-    int i;
-    int j;
-    int l;
-    int k;
-    int delta = 0;
     double dAdT = 0;
     double dBdT = 0;
     double dEdT;
-    double dCdT = 0;
-    double dFdT = 0;
-    double dDdT = 0;
-    double dtaudt = 0;
-    double dtau2dt = 0;
     double dGdt = 0;
     double dG2dt = 0;
     double[][] Gmatrix = new double[numberOfComponents][numberOfComponents];
     double[][] tauMatrix = new double[numberOfComponents][numberOfComponents];
     dlngammadn = new double[numberOfComponents];
     ComponentInterface[] comp_Array = phase.getcomponentArray();
-    double lngammaold = 0;
-    double dlngammadtold = 0;
     double dA2dTetter = 0;
     double dA3dTetter = 0;
     double dA4dTetter = 0;
     double dA5dTetter = 0;
     double dA6dTetter = 0;
     // for(int w=0;w<3;w++){
-    F = 0;
-    dFdT = 0;
+    double F = 0;
     dBdT = 0;
     dAdT = 0;
-    dDdT = 0;
-    A = 0;
-    B = 0;
-    dlngammadt = 0.0;
+    double A = 0;
+    double B = 0;
     dA2dTetter = 0;
     dA3dTetter = 0;
     dA4dTetter = 0;
@@ -115,22 +81,24 @@ public double getGamma(PhaseInterface phase, int numberOfComponents, double temp
     double dA4dT = 0;
     double dA5dT = 0;
     double dA6dT = 0;
-    for (j = 0; j < numberOfComponents; j++) {
-      Dij = HVgij[this.getComponentNumber()][j];
-      Dji = HVgij[j][this.getComponentNumber()];
+    double dFdT = 0.0;
+    for (int j = 0; j < numberOfComponents; j++) {
+      double Dij = HVgij[this.getComponentNumber()][j];
+      double Dji = HVgij[j][this.getComponentNumber()];
       // gji = HVgij[j][this.getComponentNumber()];
       // gjj = HVgii[j][j];
-      alpha = HValpha[j][this.getComponentNumber()];
+      double alpha = HValpha[j][this.getComponentNumber()];
       tau = Dji / (temperature);
-      tau2 = Dij / (temperature);
-      dtaudt = -tau / temperature;
-      dtau2dt = -tau2 / temperature;
       // System.out.println("method GE1" + tau);
 
+      tau2 = Dij / (temperature);
+      double dtaudt = -tau / temperature;
+
       // System.out.println("error in NRTL here ......");
       G = Math.exp(-alpha * tau); // comp_Array[j].getb()*Math.exp(-alpha*tau);
       dGdt = dtaudt * -alpha * G;
       G2 = Math.exp(-alpha * tau2); // comp_Array[this.getComponentNumber()].getb()*Math.exp(-alpha*tau2);
+      double dtau2dt = -tau2 / temperature;
       dG2dt = dtau2dt * -alpha * G2;
 
       A += tau * G * comp_Array[j].getx();
@@ -145,13 +113,12 @@ public double getGamma(PhaseInterface phase, int numberOfComponents, double temp
       E = G2 * comp_Array[j].getx();
       dEdT = dG2dt * comp_Array[j].getx();
 
-      C = 0;
-      D = 0;
-      dCdT = 0;
-      dDdT = 0;
-      // System.out.println("hei");
+      double C = 0;
+      double D = 0;
+      double dCdT = 0;
+      double dDdT = 0;
 
-      for (l = 0; l < numberOfComponents; l++) {
+      for (int l = 0; l < numberOfComponents; l++) {
         Dij = HVgij[l][j];
         alpha = HValpha[l][j];
         tau = Dij / (temperature);
@@ -179,15 +146,21 @@ public double getGamma(PhaseInterface phase, int numberOfComponents, double temp
       dtau2dt = -tau2 / temperature;
 
       F += E / C * (tau2 - D / C);
-      dFdT += (dEdT / C - E / (C * C) * dCdT) * (tau2 - D / C)
-          + E / C * (dtau2dt - (dDdT / C - D / (C * C) * dCdT));
+      /*
+       * dFdT += (dEdT / C - E / (C * C) * dCdT) * (tau2 - D / C) + E / C * (dtau2dt - (dDdT / C - D
+       * / (C * C) * dCdT));
+       */
       // F2T = F2T - 2*2*A/Math.pow(C,2) + 2*2*E*D/Math.pow(C,3); // A til A2;
     }
 
-    lngamma = A / B + F;
+    double lngamma = A / B + F;
     // dlngammadt = dAdT/B - A/(B*B)*dBdT + dFdT;
-    dlngammadt = (dAdT / B - A / (B * B) * dBdT + dA2dTetter - dA3dTetter + dA4dTetter - dA5dTetter
-        - dA6dTetter);
+
+    /*
+     * double dlngammadt = (dAdT / B - A / (B * B) * dBdT + dA2dTetter - dA3dTetter + dA4dTetter -
+     * dA5dTetter - dA6dTetter);
+     */
+
     /*
      * if(w==0){ dlngammadtold = dlngammadt; temperature +=0.0001; }
      *
@@ -205,7 +178,7 @@ public double getGamma(PhaseInterface phase, int numberOfComponents, double temp
     gamma = Math.exp(lngamma);
     // System.out.println("gamma " +gamma);
     // if derivates....
-    if (type == 3) {
+    if (phase.getInitType() == 3) {
       double dAdn = 0;
       double dBdn = 0;
       double Etemp = 0;

diff --git a/src/main/java/neqsim/thermo/mixingrule/EosMixingRules.java b/src/main/java/neqsim/thermo/mixingrule/EosMixingRules.java
@@ -1322,8 +1322,6 @@ public void init(PhaseInterface phase, double temperature, double pressure, int
         hwfc = -1.0 / 0.53;
       }
 
-      double term = 0.0;
-      double dubdert = 0.0;
       if (qPure == null) {
         qPure = new double[numbcomp];
         qPuredT = new double[numbcomp];
@@ -1356,6 +1354,9 @@ public void init(PhaseInterface phase, double temperature, double pressure, int
 
       alpha_mix = 0.0;
       dadt = 0.0;
+
+      double term = 0.0;
+      double dubdert = 0.0;
       for (int i = 0; i < numbcomp; i++) {
         term =
             qPure[i] + hwfc * Math.log(((ComponentGEInterface) gePhase.getComponent(i)).getGamma());

diff --git a/src/main/java/neqsim/thermo/phase/Phase.java b/src/main/java/neqsim/thermo/phase/Phase.java
@@ -450,7 +450,13 @@ public PhysicalProperties getPhysicalProperties() {
     return physicalPropertyHandler.getPhysicalProperties(this);
   }
 
-  /** {@inheritDoc} */
+  /**
+   * {@inheritDoc}
+   *
+   * <p>
+   * initType used in component.init()
+   * </p>
+   */
   @Override
   public void init(double totalNumberOfMoles, int numberOfComponents, int initType, PhaseType pt,
       double beta) {

diff --git a/src/main/java/neqsim/thermo/phase/PhaseCSPsrkEos.java b/src/main/java/neqsim/thermo/phase/PhaseCSPsrkEos.java
@@ -66,13 +66,12 @@ 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) {
-    double oldtemp = temperature;
+    double oldtemp = getTemperature();
     if (initType == 0) {
       refBWRSPhase.init(1.0, 1, 0, pt, 1.0);
-      refBWRSPhase.init(1.0, 1, 3, pt, 1.0);
-    } else {
-      refBWRSPhase.init(1.0, 1, 3, pt, 1.0);
     }
+    refBWRSPhase.init(1.0, 1, 3, pt, 1.0);
+
     do {
       super.init(totalNumberOfMoles, numberOfComponents, initType, pt, beta);
       oldtemp = refBWRSPhase.getTemperature();

diff --git a/src/main/java/neqsim/thermo/phase/PhaseEos.java b/src/main/java/neqsim/thermo/phase/PhaseEos.java
@@ -77,7 +77,13 @@ public void displayInteractionCoefficients(String intType) {
     mixSelect.displayInteractionCoefficients(intType, this);
   }
 
-  /** {@inheritDoc} */
+  /**
+   * {@inheritDoc}
+   *
+   * <p>
+   * Calls component.init(initType)
+   * </p>
+   */
   @Override
   public void init(double totalNumberOfMoles, int numberOfComponents, int initType, PhaseType pt,
       double beta) {

diff --git a/src/main/java/neqsim/thermo/phase/PhaseGEUnifacUMRPRU.java b/src/main/java/neqsim/thermo/phase/PhaseGEUnifacUMRPRU.java
@@ -124,7 +124,6 @@ public void setMixingRule(int type) {
   @Override
   public double getExcessGibbsEnergy(PhaseInterface phase, int numberOfComponents,
       double temperature, double pressure, PhaseType pt) {
-    double GE = 0.0;
     calcCommontemp(phase, numberOfComponents, temperature, pressure, pt);
     // ((ComponentGEUnifacUMRPRU) phase.getComponent(0)).commonInit(phase, numberOfComponents,
     // temperature, pressure, pt);
@@ -133,6 +132,7 @@ public double getExcessGibbsEnergy(PhaseInterface phase, int numberOfComponents,
     if (getInitType() > 2) {
       initQmixdN();
     }
+    double GE = 0.0;
     for (int i = 0; i < numberOfComponents; i++) {
       GE += phase.getComponent(i).getx() * Math.log(((ComponentGEUniquac) componentArray[i])
           .getGamma(phase, numberOfComponents, temperature, pressure, pt));

diff --git a/src/main/java/neqsim/thermo/phase/PhasePCSAFT.java b/src/main/java/neqsim/thermo/phase/PhasePCSAFT.java
@@ -105,7 +105,13 @@ public void addComponent(String name, double moles, double molesInPhase, int com
     componentArray[compNumber] = new ComponentPCSAFT(name, moles, molesInPhase, compNumber);
   }
 
-  /** {@inheritDoc} */
+  /**
+   * {@inheritDoc}
+   *
+   * <p>
+   * Calls component.Finit(initType)
+   * </p>
+   */
   @Override
   public void init(double totalNumberOfMoles, int numberOfComponents, int initType, PhaseType pt,
       double beta) {

diff --git a/src/main/java/neqsim/thermo/phase/PhasePCSAFTRahmat.java b/src/main/java/neqsim/thermo/phase/PhasePCSAFTRahmat.java
@@ -46,8 +46,7 @@ public class PhasePCSAFTRahmat extends PhasePCSAFT {
    * Constructor for PhasePCSAFTRahmat.
    * </p>
    */
-  public PhasePCSAFTRahmat() {
-  }
+  public PhasePCSAFTRahmat() {}
 
   /** {@inheritDoc} */
   @Override
@@ -69,7 +68,13 @@ public void addComponent(String name, double moles, double molesInPhase, int com
     componentArray[compNumber] = new ComponentPCSAFT(name, moles, molesInPhase, compNumber);
   }
 
-  /** {@inheritDoc} */
+  /**
+   * {@inheritDoc}
+   *
+   * <p>
+   * Calls component.Finit(initType)
+   * </p>
+   */
   @Override
   public void init(double totalNumberOfMoles, int numberOfComponents, int initType, PhaseType pt,
       double beta) {

diff --git a/src/main/java/neqsim/thermo/system/SystemInterface.java b/src/main/java/neqsim/thermo/system/SystemInterface.java
@@ -853,7 +853,7 @@ public default String[] getComponentNames() {
   public double getGamma();
 
   /**
-   * method to return heat capacity ratio calculated as Cp/(Cp-R).
+   * method to return heat capacity ratio calculated as Cp/(Cp-R*nMoles).
    *
    * @return kappa
    */
@@ -1694,8 +1694,6 @@ public default void init() {
    */
   public void init(int number);
 
-  // public void setPressure(double newPressure, int phaseNumber);
-
   /**
    * method to calculate thermodynamic properties of the selected phase. The temperature, pressure,
    * number of phases and composition of the phase will be used as basis for calculation.
@@ -2663,7 +2661,9 @@ public default void setPhysicalPropertyModel(int type) {
   public void setForceSinglePhase(String phasetypename);
 
   /**
-   * <p>isInitialized.</p>
+   * <p>
+   * isInitialized.
+   * </p>
    *
    * @return a boolean
    */