feat: Make mixingrule concept generic for phases MixingRuleTypeInterf…

…ace (#1250)

New Interface CPAMixingRuleType
Introduce SuperInterface MixingRuleTypeInterface for EosMixingRuleType and CPAMixingRuleType
prepare for future cleaner split between types using eos mixing and cpa mixing

src/main/java/neqsim/fluidmechanics/flownode/fluidboundary/heatmasstransfercalc/nonequilibriumfluidboundary/NonEquilibriumFluidBoundary.java

@@ -628,8 +628,5 @@ public void solve() {
     } while (Math.abs((oldHeatFlux - heatFlux) / heatFlux) > 1e-6 && heatTransferCalc
         && iterInner < 50);
     init();
-    // System.out.println("iterInner " +iterInner + " temp gas " +
-    // interphaseSystem.getTemperature(0)+ " temp liq " +
-    // interphaseSystem.getTemperature(1));
   }
 }

src/main/java/neqsim/fluidmechanics/flownode/fluidboundary/interphasetransportcoefficient/interphasetwophase/stirredcell/InterphaseStirredCellFlow.java

@@ -59,9 +59,7 @@ public double calcInterphaseHeatTransferCoefficient(int phaseNum, double prandtl
     if (Math.abs(node.getReynoldsNumber()) < 2000) {
       return 3.66 / node.getHydraulicDiameter(phaseNum)
           * node.getBulkSystem().getPhase(phaseNum).getPhysicalProperties().getConductivity();
-    }
-    // if turbulent - use chilton colburn analogy
-    else {
+    } else { // if turbulent - use chilton colburn analogy
       double temp = node.getBulkSystem().getPhase(phaseNum).getCp()
           / node.getBulkSystem().getPhase(phaseNum).getMolarMass()
           / node.getBulkSystem().getPhase(phaseNum).getNumberOfMolesInPhase()

src/main/java/neqsim/process/equipment/ProcessEquipmentInterface.java

@@ -89,8 +89,7 @@ public default boolean needRecalculation() {
    * setController.
    * </p>
    *
-   * @param controller a {@link neqsim.process.controllerdevice.ControllerDeviceInterface}
-   *        object
+   * @param controller a {@link neqsim.process.controllerdevice.ControllerDeviceInterface} object
    */
   public void setController(ControllerDeviceInterface controller);
 
@@ -166,8 +165,7 @@ public default SystemInterface getFluid() {
    * runConditionAnalysis.
    * </p>
    *
-   * @param refExchanger a
-   *        {@link neqsim.process.equipment.ProcessEquipmentInterface} object
+   * @param refExchanger a {@link neqsim.process.equipment.ProcessEquipmentInterface} object
    */
   public void runConditionAnalysis(ProcessEquipmentInterface refExchanger);
 
@@ -216,10 +214,10 @@ public default SystemInterface getFluid() {
 
   /**
    * <p>
-   * toJson.
+   * Serializes the Process Equipment along with its state to a JSON string.
    * </p>
    *
-   * @return a String
+   * @return json string.
    */
   public String toJson();
 

src/main/java/neqsim/process/equipment/compressor/CompressorChartAlternativeMapLookupExtrapolate.java

@@ -69,8 +69,10 @@ public ArrayList<Double> getClosestRefSpeeds(double speed) {
   /**
    * {@inheritDoc}
    *
+   * <p>
    * Calculates the polytropic head for a given flow and speed by interpolating or extrapolating
    * between reference compressor curves.
+   * </p>
    */
   @Override
   public double getPolytropicHead(double flow, double speed) {

src/main/java/neqsim/process/equipment/heatexchanger/MultiStreamHeatExchanger.java

@@ -516,9 +516,7 @@ public void run(UUID id) {
       // Finalize the setup
       run();
       return;
-    }
-
-    else {
+    } else {
       // Run all input and output streams to ensure they are up-to-date
       for (StreamInterface inStream : inStreams) {
         inStream.run(id);

src/main/java/neqsim/process/equipment/pipeline/PipeBeggsAndBrills.java

@@ -178,20 +178,21 @@ public void setPipeSpecification(double nominalDiameter, String pipeSec) {
     this.nominalDiameter = nominalDiameter;
     this.PipeSpecSet = true;
 
-    neqsim.util.database.NeqSimDataBase database = new neqsim.util.database.NeqSimDataBase();
-    java.sql.ResultSet dataSet =
-        database.getResultSet("SELECT * FROM pipedata where Size='" + nominalDiameter + "'");
-    try {
-      if (dataSet.next()) {
-        this.pipeThickness = Double.parseDouble(dataSet.getString(pipeSpecification)) / 1000;
-        this.insideDiameter =
-            (Double.parseDouble(dataSet.getString("OD"))) / 1000 - 2 * this.pipeThickness;
+    try (neqsim.util.database.NeqSimDataBase database = new neqsim.util.database.NeqSimDataBase()) {
+      java.sql.ResultSet dataSet =
+          database.getResultSet("SELECT * FROM pipedata where Size='" + nominalDiameter + "'");
+      try {
+        if (dataSet.next()) {
+          this.pipeThickness = Double.parseDouble(dataSet.getString(pipeSpecification)) / 1000;
+          this.insideDiameter =
+              (Double.parseDouble(dataSet.getString("OD"))) / 1000 - 2 * this.pipeThickness;
+        }
+      } catch (NumberFormatException e) {
+        logger.error(e.getMessage());
+      } catch (SQLException e) {
+        logger.error(e.getMessage());
       }
-    } catch (NumberFormatException e) {
-      // TODO Auto-generated catch block
-      logger.error(e.getMessage());
     } catch (SQLException e) {
-      // TODO Auto-generated catch block
       logger.error(e.getMessage());
     }
   }

src/main/java/neqsim/process/equipment/tank/Tank.java

@@ -1,6 +1,8 @@
 package neqsim.process.equipment.tank;
 
 import java.util.UUID;
+import org.apache.logging.log4j.LogManager;
+import org.apache.logging.log4j.Logger;
 import neqsim.process.equipment.ProcessEquipmentBaseClass;
 import neqsim.process.equipment.mixer.Mixer;
 import neqsim.process.equipment.stream.Stream;
@@ -20,6 +22,8 @@
 public class Tank extends ProcessEquipmentBaseClass {
   /** Serialization version UID. */
   private static final long serialVersionUID = 1000;
+  /** Logger object for class. */
+  static Logger logger = LogManager.getLogger(Tank.class);
 
   SystemInterface thermoSystem;
   SystemInterface gasSystem;
@@ -148,14 +152,29 @@ public StreamInterface getLiquid() {
     return getLiquidOutStream();
   }
 
-  /** {@inheritDoc} */
+  /**
+   * {@inheritDoc}
+   *
+   * <p>
+   * Calculates the following properties:
+   * </p>
+   * <ul>
+   * <li>steelWallTemperature</li>
+   * <li>gasOutStream</li>
+   * <li>liquidOutStream</li>
+   * <li><code>thermoSystem</code> including properties</li>
+   * <li>liquidLevel</li>
+   * <li>liquidVolume</li>
+   * <li>gasVolume</li>
+   * </ul>
+   */
   @Override
   public void run(UUID id) {
     inletStreamMixer.run(id);
     SystemInterface thermoSystem2 = inletStreamMixer.getOutletStream().getThermoSystem().clone();
     ThermodynamicOperations ops = new ThermodynamicOperations(thermoSystem2);
     ops.VUflash(thermoSystem2.getVolume(), thermoSystem2.getInternalEnergy());
-    System.out.println("Volume " + thermoSystem2.getVolume() + " internalEnergy "
+    logger.info("Volume " + thermoSystem2.getVolume() + " internalEnergy "
         + thermoSystem2.getInternalEnergy());
     steelWallTemperature = thermoSystem2.getTemperature();
     if (thermoSystem2.hasPhaseType("gas")) {
@@ -172,7 +191,7 @@ public void run(UUID id) {
     thermoSystem = thermoSystem2.clone();
     thermoSystem.setTotalNumberOfMoles(1.0e-10);
     thermoSystem.init(1);
-    System.out.println("number of phases " + thermoSystem.getNumberOfPhases());
+    logger.info("number of phases " + thermoSystem.getNumberOfPhases());
     for (int j = 0; j < thermoSystem.getNumberOfPhases(); j++) {
       double relFact = gasVolume / (thermoSystem.getPhase(j).getVolume() * 1.0e-5);
       if (j == 1) {
@@ -191,10 +210,10 @@ public void run(UUID id) {
       thermoSystem.setBeta(1.0 - 1e-10);
     }
     thermoSystem.init(3);
-    System.out.println("moles in separator " + thermoSystem.getNumberOfMoles());
+    logger.info("moles in separator " + thermoSystem.getNumberOfMoles());
     double volume1 = thermoSystem.getVolume();
-    System.out.println("volume1 bef " + volume1);
-    System.out.println("beta " + thermoSystem.getBeta());
+    logger.info("volume1 bef " + volume1);
+    logger.info("beta " + thermoSystem.getBeta());
 
     if (thermoSystem2.getNumberOfPhases() == 2) {
       liquidLevel = thermoSystem.getPhase(1).getVolume() * 1e-5 / (liquidVolume + gasVolume);
@@ -205,7 +224,7 @@ public void run(UUID id) {
         getLiquidLevel() * 3.14 / 4.0 * separatorDiameter * separatorDiameter * separatorLength;
     gasVolume = (1.0 - getLiquidLevel()) * 3.14 / 4.0 * separatorDiameter * separatorDiameter
         * separatorLength;
-    System.out.println("moles out" + liquidOutStream.getThermoSystem().getTotalNumberOfMoles());
+    logger.info("moles out" + liquidOutStream.getThermoSystem().getTotalNumberOfMoles());
 
     setCalculationIdentifier(id);
   }

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

@@ -50,10 +50,11 @@ public abstract class Component implements ComponentInterface {
   /** Mole fraction of Component in Phase. */
   protected double x = 0;
   /**
-   * Number of moles of Component in System. <code>numberOfMoles = totalNumberOfMoles * z</code>.
+   * Number of moles of Component in System. Ideally
+   * <code>numberOfMoles = totalNumberOfMoles * z</code>.
    */
   protected double numberOfMoles = 0.0;
-  /** Number of moles of Component in Phase. <code>totalNumberOfMoles * x * beta</code>. */
+  /** Number of moles of Component in Phase. Ideally <code>totalNumberOfMoles * x * beta</code>. */
   protected double numberOfMolesInPhase = 0.0;
   protected double K;
 

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

@@ -40,6 +40,8 @@ public class ComponentHydrate extends Component {
   private double sphericalCoreRadiusHydrate = 0.0;
   private double lennardJonesEnergyParameterHydrate = 0.0;
   private double lennardJonesMolecularDiameterHydrate = 0.0;
+
+  /** Reference phase containing only this single component, i.e., mixing rules are not relevant. */
   PhaseInterface refPhase = null;
 
   /**
@@ -659,6 +661,7 @@ public void setSolidRefFluidPhase(PhaseInterface phase) {
       refPhase.setTemperature(273.0);
       refPhase.setPressure(1.0);
       refPhase.addComponent("water", 10.0, 10.0, 0);
+      refPhase.setMixingRule(null);
       refPhase.init(refPhase.getNumberOfMolesInPhase(), 1, 0, PhaseType.GAS, 1.0);
     } catch (Exception ex) {
       logger.error("error occured", ex);

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

@@ -30,9 +30,11 @@ public class ComponentSolid extends ComponentSrk {
   double soldens = 0.0;
   boolean CCequation = true;
   boolean AntoineSolidequation = true;
-  PhaseInterface refPhase = null;
   double pureCompFug = 0.0;
 
+  /** Reference phase containing only this single component, i.e., mixing rules are not relevant. */
+  PhaseInterface refPhase = null;
+
   /**
    * <p>
    * Constructor for ComponentSolid.
@@ -257,6 +259,7 @@ public void setSolidRefFluidPhase(PhaseInterface phase) {
       refPhase.getComponent(componentName)
           .setAttractiveTerm(phase.getComponent(componentName).getAttractiveTermNumber());
       refPhase.init(refPhase.getNumberOfMolesInPhase(), 1, 0, PhaseType.GAS, 1.0);
+      refPhase.setMixingRule(null);
       // }
     } catch (Exception ex) {
       logger.error("error occured", ex);

src/main/java/neqsim/thermo/mixingrule/CPAMixingRuleType.java

@@ -0,0 +1,76 @@
+package neqsim.thermo.mixingrule;
+
+import neqsim.util.exception.InvalidInputException;
+
+/**
+ * Types of CPAMixingRule, relating to different kind of mixing rules relevant for CPA type phases.
+ * Available types are:
+ * <ul>
+ * <li>CPA_RADOCH - 1 -</li>
+ * <li>PCSAFTA_RADOCH - 3 -</li>
+ * </ul>
+ *
+ * @author ASMF
+ */
+public enum CPAMixingRuleType implements MixingRuleTypeInterface {
+  CPA_RADOCH(1), PCSAFTA_RADOCH(3);
+
+  /** Holder for old style integer pt. */
+  private final int value;
+  /** Holder for old style string physical property description. */
+
+  // We know we'll never mutate this, so we can keep
+  // a local copy for fast lookup in forName
+  private static final CPAMixingRuleType[] copyOfValues = values();
+
+  /**
+   * Constructor for CPAMixingRuleType enum.
+   *
+   * @param value Numeric value index for mixing rule
+   */
+  private CPAMixingRuleType(int value) {
+    this.value = value;
+  }
+
+  /**
+   * Getter for property value.
+   *
+   * @return Numeric index of phase type
+   */
+  @Deprecated
+  public int getValue() {
+    return this.value;
+  }
+
+  /**
+   * Get CPAMixingRuleType by name.
+   *
+   * @param name Name to get CPAMixingRuleType for.
+   * @return CPAMixingRuleType object
+   */
+  public static CPAMixingRuleType byName(String name) {
+    for (CPAMixingRuleType mr : copyOfValues) {
+      if (mr.name().equals(name.toUpperCase())) {
+        return mr;
+      }
+    }
+    throw new RuntimeException(
+        new InvalidInputException("CPAMixingRuleType", "byName", "name", "is not valid."));
+  }
+
+  /**
+   * Get CPAMixingRuleType by value.
+   *
+   * @param value Value to get CPAMixingRuleType for.
+   * @return CPAMixingRuleType object
+   */
+  public static CPAMixingRuleType byValue(int value) {
+    for (CPAMixingRuleType mr : copyOfValues) {
+      if (mr.getValue() == (value)) {
+        return mr;
+      }
+    }
+    throw new RuntimeException(
+        new InvalidInputException("CPAMixingRuleType", "byValue", "value", "is not valid."));
+  }
+}

src/main/java/neqsim/thermo/mixingrule/CPAMixingRules.java

@@ -617,15 +617,37 @@ public CPAMixingRulesInterface getMixingRule(int mr) {
     if (mr == 1) {
       mixingRuleName = "CPA_Radoch";
       return new CPA_Radoch();
-    } else if (mr == 2) {
-      mixingRuleName = "CPA_Radoch";
-      return new CPA_Radoch();
     } else if (mr == 3) {
       mixingRuleName = "PCSAFTa_Radoch";
       return new PCSAFTa_Radoch();
-    } else {
-      mixingRuleName = "CPA_Radoch";
-      return new CPA_Radoch();
+    }
+    throw new RuntimeException(
+        new neqsim.util.exception.InvalidInputException(this, "getMixingRule", "mr"));
+  }
+
+  /**
+   * <p>
+   * getMixingRule.
+   * </p>
+   *
+   * @param mr a int
+   * @return a {@link neqsim.thermo.mixingrule.CPAMixingRulesInterface} object
+   */
+  public CPAMixingRulesInterface getMixingRule(MixingRuleTypeInterface mr) {
+    if (!CPAMixingRuleType.class.isInstance(mr)) {
+      throw new RuntimeException(
+          new neqsim.util.exception.InvalidInputException(this, "setMixingRule", "mr"));
+    }
+    CPAMixingRuleType cmr = (CPAMixingRuleType) mr;
+    switch (cmr) {
+      case CPA_RADOCH:
+        mixingRuleName = "CPA_Radoch";
+        return new CPA_Radoch();
+      case PCSAFTA_RADOCH:
+        mixingRuleName = "PCSAFTa_Radoch";
+        return new PCSAFTa_Radoch();
+      default:
+        return new CPA_Radoch();
     }
   }
 

src/main/java/neqsim/thermo/mixingrule/EosMixingRuleType.java

@@ -21,7 +21,7 @@
  *
  * @author ASMF
  */
-public enum EosMixingRuleType {
+public enum EosMixingRuleType implements MixingRuleTypeInterface {
   NO(1), CLASSIC(2), CLASSIC_HV(3), HV(4), WS(5), CPA_MIX(7), CLASSIC_T(8), CLASSIC_T_CPA(
       9), CLASSIC_TX_CPA(10);
 

src/main/java/neqsim/thermo/mixingrule/MixingRuleTypeInterface.java

@@ -0,0 +1,10 @@
+package neqsim.thermo.mixingrule;
+
+/**
+ * Dummy Interface to allow Phase object to keep either CPA or EosMixingRuleType
+ */
+public interface MixingRuleTypeInterface {
+
+
+  public int getValue();
+}