remove unhandeled runtime exception (#1042)

* remove unhandeled runtime exception

* added possibility to chenge method used in Rachford RIce

* update

* Update PhaseEos.java

Author: EvenSol

src/main/java/neqsim/thermo/phase/PhaseEos.java

@@ -109,6 +109,7 @@ public void init(double totalNumberOfMoles, int numberOfComponents, int initType
         }
       } catch (Exception ex) {
         logger.warn("Failed to solve for molarVolume within the iteration limit.");
+        logger.error(ex.getMessage());
         throw new RuntimeException(ex);
         // logger.error("too many iterations in volume calc!", ex);
         // logger.info("moles " + numberOfMolesInPhase);
@@ -191,21 +192,20 @@ public void resetMixingRule(int type) {
    * molarVolume2.
    * </p>
    *
-   * @param pressure a double
+   * @param pressure    a double
    * @param temperature a double
-   * @param A a double
-   * @param B a double
-   * @param pt the PhaseType of the phase.
+   * @param A           a double
+   * @param B           a double
+   * @param pt          the PhaseType of the phase.
    * @return a double
-   * @throws neqsim.util.exception.IsNaNException if any.
+   * @throws neqsim.util.exception.IsNaNException             if any.
    * @throws neqsim.util.exception.TooManyIterationsException if any.
    */
   public double molarVolume2(double pressure, double temperature, double A, double B, PhaseType pt)
       throws neqsim.util.exception.IsNaNException,
       neqsim.util.exception.TooManyIterationsException {
-    double BonV =
-        pt == PhaseType.LIQUID ? 2.0 / (2.0 + temperature / getPseudoCriticalTemperature())
-            : pressure * getB() / (numberOfMolesInPhase * temperature * R);
+    double BonV = pt == PhaseType.LIQUID ? 2.0 / (2.0 + temperature / getPseudoCriticalTemperature())
+        : pressure * getB() / (numberOfMolesInPhase * temperature * R);
     if (BonV < 0) {
       BonV = 0.0;
     }
@@ -288,9 +288,8 @@ public double molarVolume2(double pressure, double temperature, double A, double
   public double molarVolume(double pressure, double temperature, double A, double B, PhaseType pt)
       throws neqsim.util.exception.IsNaNException,
       neqsim.util.exception.TooManyIterationsException {
-    double BonV =
-        pt == PhaseType.LIQUID ? 2.0 / (2.0 + temperature / getPseudoCriticalTemperature())
-            : pressure * getB() / (numberOfMolesInPhase * temperature * R);
+    double BonV = pt == PhaseType.LIQUID ? 2.0 / (2.0 + temperature / getPseudoCriticalTemperature())
+        : pressure * getB() / (numberOfMolesInPhase * temperature * R);
 
     if (BonV < 0) {
       BonV = 1.0e-4;
@@ -438,10 +437,10 @@ public double calcAi(int compNumb, PhaseInterface phase, double temperature, dou
    * calcAT.
    * </p>
    *
-   * @param phase a {@link neqsim.thermo.phase.PhaseInterface} object
+   * @param phase       a {@link neqsim.thermo.phase.PhaseInterface} object
    * @param temperature a double
-   * @param pressure a double
-   * @param numbcomp a int
+   * @param pressure    a double
+   * @param numbcomp    a int
    * @return a double
    */
   public double calcAT(PhaseInterface phase, double temperature, double pressure, int numbcomp) {
@@ -454,10 +453,10 @@ public double calcAT(PhaseInterface phase, double temperature, double pressure,
    * calcATT.
    * </p>
    *
-   * @param phase a {@link neqsim.thermo.phase.PhaseInterface} object
+   * @param phase       a {@link neqsim.thermo.phase.PhaseInterface} object
    * @param temperature a double
-   * @param pressure a double
-   * @param numbcomp a int
+   * @param pressure    a double
+   * @param numbcomp    a int
    * @return a double
    */
   public double calcATT(PhaseInterface phase, double temperature, double pressure, int numbcomp) {
@@ -1199,8 +1198,7 @@ public double[][] dFdxdxMatrixSimple() {
     }
 
     for (int i = 0; i < numberOfComponents; i++) {
-      matrix[i][numberOfComponents] =
-          (FBT + FBD * AT) * Bi[i] + FDT * Ai[i] + FD * componentArray[i].getAiT(); // dFdndT
+      matrix[i][numberOfComponents] = (FBT + FBD * AT) * Bi[i] + FDT * Ai[i] + FD * componentArray[i].getAiT(); // dFdndT
       matrix[numberOfComponents][i] = matrix[i][numberOfComponents];
 
       matrix[i][numberOfComponents + 1] = FnV + FBV * Bi[i] + FDV * Ai[i]; // dFdndV

src/main/java/neqsim/thermodynamicOperations/flashOps/RachfordRice.java

@@ -18,20 +18,52 @@
 public class RachfordRice implements Serializable {
   private static final long serialVersionUID = 1000;
   private double[] beta = new double[2];
+  private static String method = "Michelsen2001"; // alternative use Nielsen2023
+
+  public static String getMethod() {
+    return RachfordRice.method;
+  }
+
+  public static void setMethod(String method) {
+    RachfordRice.method = method;
+  }
 
   /**
    * <p>
    * calcBeta. For gas liquid systems.
    * </p>
    * 
-   * Method based on Michelsen Mollerup, 2001
+   * Method used is defined in method String variable
    *
    * @return Beta Mole fraction of gas phase
    * @throws neqsim.util.exception.IsNaNException if any.
    * @throws neqsim.util.exception.TooManyIterationsException if any.
    */
   public double calcBeta(double[] K, double[] z) throws neqsim.util.exception.IsNaNException,
       neqsim.util.exception.TooManyIterationsException {
+    if (method.equals("Michelsen2001")) {
+      return calcBetaMichelsen2001(K, z);
+    } else if (method.equals("Nielsen2023")) {
+      return calcBetaNielsen2023(K, z);
+    } else {
+      return calcBetaMichelsen2001(K, z);
+    }
+  }
+
+  /**
+   * <p>
+   * calcBeta. For gas liquid systems.
+   * </p>
+   * 
+   * Method based on Michelsen Mollerup, 2001
+   *
+   * @return Beta Mole fraction of gas phase
+   * @throws neqsim.util.exception.IsNaNException if any.
+   * @throws neqsim.util.exception.TooManyIterationsException if any.
+   */
+  public double calcBetaMichelsen2001(double[] K, double[] z)
+      throws neqsim.util.exception.IsNaNException,
+      neqsim.util.exception.TooManyIterationsException {
 
     int i;
     double tolerance = neqsim.thermo.ThermodynamicModelSettings.phaseFractionMinimumLimit;
@@ -156,19 +188,18 @@ public double calcBeta(double[] K, double[] z) throws neqsim.util.exception.IsNa
     return nybeta;
   }
 
-
-
   /**
    * <p>
-   * calcBeta. For gas liquid systems. Method based on Avoiding round-off error in the Rachford–Rice
-   * equation, Nielsen, Lia, 2023
+   * calcBetaNielsen2023. For gas liquid systems. Method based on Avoiding round-off error in the
+   * Rachford–Rice equation, Nielsen, Lia, 2023
    * </p>
    *
    * @return Beta Mole fraction of gas phase
    * @throws neqsim.util.exception.IsNaNException if any.
    * @throws neqsim.util.exception.TooManyIterationsException if any.
    */
-  public double calcBeta2(double[] K, double[] z) throws neqsim.util.exception.IsNaNException,
+  public double calcBetaNielsen2023(double[] K, double[] z)
+      throws neqsim.util.exception.IsNaNException,
       neqsim.util.exception.TooManyIterationsException {
 
     double tolerance = neqsim.thermo.ThermodynamicModelSettings.phaseFractionMinimumLimit;
@@ -295,8 +326,6 @@ public double[] getBeta() {
     return beta;
   }
 
-
-
   /** {@inheritDoc} */
   public final double calcBetaS(SystemInterface system) throws neqsim.util.exception.IsNaNException,
       neqsim.util.exception.TooManyIterationsException {
@@ -447,7 +476,4 @@ public final double calcBetaS(SystemInterface system) throws neqsim.util.excepti
     return this.beta[0];
   }
 
-
 }
-
-

src/test/java/neqsim/thermodynamicOperations/flashOps/RachfordRiceTest.java

@@ -17,6 +17,15 @@ void testCalcBeta() {
       e.printStackTrace();
     }
 
+    try {
+      RachfordRice rachfordRice = new RachfordRice();
+      rachfordRice.setMethod("Nielsen2023");
+      Assertions.assertEquals(0.407070707, rachfordRice.calcBeta(K, z), 1e-6);
+      rachfordRice.setMethod("Michelsen2001");
+    } catch (Exception e) {
+      e.printStackTrace();
+    }
+
   }
 
   @Test