add 5 comp PR

src/main/java/neqsim/thermo/component/ComponentPR_5CompModel.java

@@ -0,0 +1,153 @@
+package neqsim.thermo.component;
+
+import neqsim.thermo.component.attractiveEosTerm.AttractiveTermPr1978;
+
+/**
+ * <p>
+ * ComponentPR_5CompModel class.
+ * </p>
+ *
+ * @author Even Solbraa
+ * @version $Id: $Id
+ */
+public class ComponentPR_5CompModel extends ComponentPR {
+  private static final long serialVersionUID = 1000;
+  private double omegaA = .457243333330;
+
+
+  private double omegaB = .077803333;
+
+  /**
+   * <p>
+   * Constructor for ComponentPR_5CompModel.
+   * </p>
+   *
+   * @param name Name of component.
+   * @param moles Total number of moles of component.
+   * @param molesInPhase Number of moles in phase.
+   * @param compIndex Index number of component in phase object component array.
+   */
+  public ComponentPR_5CompModel(String name, double moles, double molesInPhase, int compIndex) {
+    super(name, moles, molesInPhase, compIndex);
+
+    if (name.equals("CO2")) {
+      setMolarMass(44.01, "lbm/lbmol");
+      setTC(574.0, "R");
+      setPC(1069.51, "psia");
+      setAcentricFactor(0.12256);
+      setVolumeCorrectionConst(-0.27593 * 6.242796057614462E-05 * b);
+      setOmegaA(0.427705);
+      setOmegaB(0.0696460);
+    } else if (name.equals("H2S")) {
+      setMolarMass(34.082, "lbm/lbmol");
+      setTC(672.12, "R");
+      setPC(1299.97, "psia");
+      setAcentricFactor(0.04916);
+      setVolumeCorrectionConst(-0.22896 * 6.242796057614462E-05 * b);
+      setOmegaA(0.436743);
+      setOmegaB(0.0724373);
+    } else if (name.equals("nitrogen")) {
+      setMolarMass(28.014, "lbm/lbmol");
+      setTC(227.16, "R");
+      setPC(492.84, "psia");
+      setAcentricFactor(0.03700);
+      setVolumeCorrectionConst(-0.21067 * 6.242796057614462E-05 * b);
+      setOmegaA(0.457236);
+      setOmegaB(0.0777961);
+    } else {
+
+      double Tca = 0.1;
+      double Tcb = 0.1;
+      double Tcc = 0.1;
+
+      double Pca = -0.00273458;
+      double Pcb = 0.1;
+      double Pcc = 0.1;
+
+      setTC(227.16, "R");
+      setPC(492.84, "psia");
+      setAcentricFactor(0.03700);
+      setVolumeCorrectionConst(-0.21067 * 6.242796057614462E-05 * b);
+      setOmegaA(0.457236);
+      setOmegaB(0.0777961);
+    }
+
+    a = getOmegaA() * R * R * criticalTemperature * criticalTemperature / criticalPressure;
+    b = getOmegaB() * R * criticalTemperature / criticalPressure;
+
+    setAttractiveParameter(new AttractiveTermPr1978(this));
+  }
+
+  /**
+   * <p>
+   * Constructor for ComponeComponentPR_5CompModelntPR.
+   * </p>
+   *
+   * @param number a int
+   * @param TC Critical temperature
+   * @param PC Critical pressure
+   * @param M Molar mass
+   * @param a Acentric factor
+   * @param moles Number of moles
+   */
+  public ComponentPR_5CompModel(int number, double TC, double PC, double M, double a,
+      double moles) {
+    super(number, TC, PC, M, a, moles);
+  }
+
+  /** {@inheritDoc} */
+  @Override
+  public ComponentPR_5CompModel clone() {
+    ComponentPR_5CompModel clonedComponent = null;
+    try {
+      clonedComponent = (ComponentPR_5CompModel) super.clone();
+    } catch (Exception ex) {
+      logger.error("Cloning failed.", ex);
+    }
+
+    return clonedComponent;
+  }
+
+  /** {@inheritDoc} */
+  @Override
+  public double calca() {
+    return getOmegaA() * R * R * criticalTemperature * criticalTemperature / criticalPressure;
+  }
+
+  /** {@inheritDoc} */
+  @Override
+  public double calcb() {
+    return getOmegaB() * R * criticalTemperature / criticalPressure;
+  }
+
+  /** {@inheritDoc} */
+  @Override
+  public double getVolumeCorrection() {
+    if (ionicCharge != 0) {
+      return 0.0;
+    }
+    if (Math.abs(getVolumeCorrectionConst()) > 1.0e-10) {
+      return getVolumeCorrectionConst() * b;
+    } else if (Math.abs(this.getRacketZ()) < 1e-10) {
+      racketZ = 0.29056 - 0.08775 * getAcentricFactor();
+    }
+    return 0.50033 * (0.25969 - this.getRacketZ()) * R * criticalTemperature / criticalPressure;
+  }
+
+  public double getOmegaA() {
+    return omegaA;
+  }
+
+  public void setOmegaA(double omegaA) {
+    this.omegaA = omegaA;
+  }
+
+  public double getOmegaB() {
+    return omegaB;
+  }
+
+  public void setOmegaB(double omegaB) {
+    this.omegaB = omegaB;
+  }
+
+}

src/main/java/neqsim/thermo/phase/PhasePrEoS_5CompModel.java

@@ -0,0 +1,47 @@
+package neqsim.thermo.phase;
+
+import neqsim.thermo.component.ComponentPR_5CompModel;
+
+/**
+ * <p>
+ * PhasePrEos class.
+ * </p>
+ *
+ * @author Even Solbraa
+ * @version $Id: $Id
+ */
+public class PhasePrEoS_5CompModel extends PhasePrEos {
+  private static final long serialVersionUID = 1000;
+
+
+
+  /**
+   * <p>
+   * Constructor for PhasePrEoS_5CompModel.
+   * </p>
+   */
+  public PhasePrEoS_5CompModel() {
+    super();
+    thermoPropertyModelName = "PR-EoS-5-Component";
+  }
+
+  /** {@inheritDoc} */
+  @Override
+  public PhasePrEoS_5CompModel clone() {
+    PhasePrEoS_5CompModel clonedPhase = null;
+    try {
+      clonedPhase = (PhasePrEoS_5CompModel) super.clone();
+    } catch (Exception ex) {
+      logger.error("Cloning failed.", ex);
+    }
+
+    return clonedPhase;
+  }
+
+  /** {@inheritDoc} */
+  @Override
+  public void addComponent(String name, double moles, double molesInPhase, int compNumber) {
+    super.addComponent(name, molesInPhase, compNumber);
+    componentArray[compNumber] = new ComponentPR_5CompModel(name, moles, molesInPhase, compNumber);
+  }
+}

src/main/java/neqsim/thermo/system/SystemPrEos5CompModel.java

@@ -0,0 +1,68 @@
+package neqsim.thermo.system;
+
+import neqsim.thermo.phase.PhasePrEoS_5CompModel;
+
+/**
+ * This class defines a thermodynamic system using the Peng Robinson 5 component model
+ *
+ * @author Even Solbraa
+ * @version $Id: $Id
+ */
+public class SystemPrEos5CompModel extends SystemPrEos1978 {
+  private static final long serialVersionUID = 1000;
+
+  /**
+   * <p>
+   * Constructor for SystemPrEos5CompModel.
+   * </p>
+   */
+  public SystemPrEos5CompModel() {
+    this(298.15, 1.0, false);
+  }
+
+  /**
+   * <p>
+   * Constructor for SystemPrEos_5CompModel.
+   * </p>
+   *
+   * @param T The temperature in unit Kelvin
+   * @param P The pressure in unit bara (absolute pressure)
+   */
+  public SystemPrEos5CompModel(double T, double P) {
+    this(T, P, false);
+  }
+
+  /**
+   * <p>
+   * Constructor for mSystemPrEos5CompModel.
+   * </p>
+   *
+   * @param T The temperature in unit Kelvin
+   * @param P The pressure in unit bara (absolute pressure)
+   * @param checkForSolids Set true to do solid phase check and calculations
+   */
+  public SystemPrEos5CompModel(double T, double P, boolean checkForSolids) {
+    super(T, P, checkForSolids);
+    attractiveTermNumber = 6;
+    modelName = "PR78-EoS-5-component-model";
+
+    for (int i = 0; i < numberOfPhases; i++) {
+      phaseArray[i] = new PhasePrEoS_5CompModel();
+      phaseArray[i].setTemperature(T);
+      phaseArray[i].setPressure(P);
+    }
+  }
+
+  /** {@inheritDoc} */
+  @Override
+  public SystemPrEos5CompModel clone() {
+    SystemPrEos5CompModel clonedSystem = null;
+    try {
+      clonedSystem = (SystemPrEos5CompModel) super.clone();
+    } catch (Exception ex) {
+      logger.error("Cloning failed.", ex);
+    }
+
+    return clonedSystem;
+  }
+}

src/test/java/neqsim/thermo/system/SystemPrEos5CompModelTest.java

@@ -0,0 +1,39 @@
+package neqsim.thermo.system;
+
+import org.junit.jupiter.api.Assertions;
+import org.junit.jupiter.api.Test;
+import neqsim.thermo.component.ComponentPR_5CompModel;
+import neqsim.thermodynamicOperations.ThermodynamicOperations;
+
+public class SystemPrEos5CompModelTest {
+
+  /**
+   * <p>
+   * testDensity.
+   * </p>
+   */
+  @Test
+  void testDensity() {
+    neqsim.thermo.system.SystemInterface testSystem =
+        new neqsim.thermo.system.SystemPrEos5CompModel(273.15 + 177, 50.0);
+    testSystem.addComponent("CO2", 1.0);
+    testSystem.setMixingRule("classic");
+    ThermodynamicOperations testOps = new ThermodynamicOperations(testSystem);
+    testOps.TPflash();
+    testSystem.initProperties();
+    Assertions.assertEquals(45.7388, testSystem.getComponent("CO2").getTC("C"), 0.01);
+    Assertions.assertEquals(1069.51, testSystem.getComponent("CO2").getPC("psia"), 0.01);
+    Assertions.assertEquals(0.12256, testSystem.getComponent("CO2").getAcentricFactor(), 0.01);
+
+    Assertions.assertEquals(0.12256, testSystem.getComponent("CO2").getAcentricFactor(), 0.01);
+    Assertions.assertEquals(0.427705,
+        ((ComponentPR_5CompModel) testSystem.getComponent("CO2")).getOmegaA(), 0.01);
+    Assertions.assertEquals(0.0696460,
+        ((ComponentPR_5CompModel) testSystem.getComponent("CO2")).getOmegaB(), 0.01);
+    Assertions.assertEquals(44.01, testSystem.getComponent("CO2").getMolarMass("gr/mol"), 0.01);
+    Assertions.assertEquals(0.919497398, testSystem.getZvolcorr(), 0.001);
+    Assertions.assertEquals(63.94100, testSystem.getDensity("kg/m3"), 0.001);
+  }
+
+
+}