initiated work on HC-water phase envelope

src/main/java/neqsim/thermodynamicOperations/ThermodynamicOperations.java

@@ -57,6 +57,7 @@
 import neqsim.thermodynamicOperations.phaseEnvelopeOps.multicomponentEnvelopeOps.CricondenThermFlash;
 import neqsim.thermodynamicOperations.phaseEnvelopeOps.multicomponentEnvelopeOps.HPTphaseEnvelope;
 import neqsim.thermodynamicOperations.phaseEnvelopeOps.multicomponentEnvelopeOps.pTphaseEnvelope;
+import neqsim.thermodynamicOperations.phaseEnvelopeOps.multicomponentEnvelopeOps.pTphaseEnvelopeHCwater;
 import neqsim.thermodynamicOperations.phaseEnvelopeOps.reactiveCurves.pLoadingCurve2;
 import neqsim.thermodynamicOperations.propertyGenerator.OLGApropertyTableGeneratorWaterStudents;
 import neqsim.thermodynamicOperations.propertyGenerator.OLGApropertyTableGeneratorWaterStudentsPH;
@@ -1610,6 +1611,18 @@ public void calcPTphaseEnvelopeNew() {
     getOperation().run();
   }
 
+  /**
+   * <p>
+   * calcPTphaseEnvelopeHCwater.
+   * </p>
+   */
+  public void calcPTphaseEnvelopeHCwater() {
+    operation = new pTphaseEnvelopeHCwater(system, fileName, (1.0 - 1e-10), 1.0, false);
+    // thisThread = new Thread(operation);
+    // thisThread.start();
+    getOperation().run();
+  }
+
   /**
    * <p>
    * OLGApropTable.

src/main/java/neqsim/thermodynamicOperations/phaseEnvelopeOps/multicomponentEnvelopeOps/pTphaseEnvelopeHCwater.java

@@ -0,0 +1,165 @@
+/*
+ * pTphaseEnvelopeHCwater.java
+ *
+ * Created on 14. oktober 2000, 21:59 Updated on May 2019, by Nefeli
+ */
+
+package neqsim.thermodynamicOperations.phaseEnvelopeOps.multicomponentEnvelopeOps;
+
+import java.util.ArrayList;
+import org.apache.logging.log4j.LogManager;
+import org.apache.logging.log4j.Logger;
+import neqsim.thermo.system.SystemInterface;
+import neqsim.thermodynamicOperations.ThermodynamicOperations;
+
+/**
+ * <p>
+ * pTphaseEnvelope class.
+ * </p>
+ *
+ * @author asmun
+ * @version $Id: $Id
+ */
+public class pTphaseEnvelopeHCwater extends pTphaseEnvelope {
+  private static final long serialVersionUID = 1000;
+  static Logger logger = LogManager.getLogger(pTphaseEnvelopeHCwater.class);
+  ThermodynamicOperations ops = null;
+
+  class PhaseEnevelopePoint {
+
+    double temperature;
+    double pressure;
+    String dewPointType;
+
+    public PhaseEnevelopePoint(SystemInterface fluid) {
+      this.temperature = fluid.getTemperature();
+      this.pressure = fluid.getPressure();
+
+      if (fluid.getNumberOfPhases() > 1 && fluid.getPhase(1).getPhaseTypeName().equals("aqueous")
+          && fluid.getPhase(0).getPhaseTypeName().equals("gas")) {
+        this.dewPointType = "2 phase gas-aqueous dew point";
+      } else if (fluid.getNumberOfPhases() > 1
+          && fluid.getPhase(1).getPhaseTypeName().equals("aqueous")
+          && fluid.getPhase(0).getPhaseTypeName().equals("oil")) {
+        this.dewPointType = "2 phase oil-aqueous dew point";
+      } else if (fluid.getNumberOfPhases() > 1 && fluid.getPhase(1).getPhaseTypeName().equals("oil")
+          && fluid.getPhase(0).getPhaseTypeName().equals("gas")) {
+        this.dewPointType = "2 phase gas-oil dew point";
+      }
+    }
+  }
+
+  ArrayList<PhaseEnevelopePoint> data = new ArrayList<PhaseEnevelopePoint>();
+
+  /**
+   * <p>
+   * Constructor for pTphaseEnvelopeHCwater.
+   * </p>
+   */
+  public pTphaseEnvelopeHCwater() {}
+
+  /**
+   * <p>
+   * Constructor for pTphaseEnvelopeHCwater.
+   * </p>
+   * Method follow algorithm in : Lindeloff, N. and M.L. Michelsen, Phase envelope calculations for
+   * hydrocarbon-water mixtures. SPE Journal, 2003. 8(03): p. 298-303.
+   *
+   * @param system a {@link neqsim.thermo.system.SystemInterface} object
+   * @param name a {@link java.lang.String} object
+   * @param phaseFraction a double
+   * @param lowPres a double
+   * @param bubfirst a boolean
+   */
+  public pTphaseEnvelopeHCwater(SystemInterface system, String name, double phaseFraction,
+      double lowPres, boolean bubfirst) {
+    super(system, name, phaseFraction, lowPres, bubfirst);
+  }
+
+  /** {@inheritDoc} */
+  @Override
+  public void run() {
+    // envelope contruction method comes here.....
+
+    /**
+     * Steps in algorithm (figure names references original paper of Lindeloff and Michelsen):
+     * 
+     * 
+     * Tracing the dewline segments that separate the single-phase region from the two-phase region
+     * (Lines I and II in Fig. 1).
+     * 
+     * Determining the three-phase points on the dewline. These are the points where the overall
+     * composition is at equilibrium with two incipient phases.
+     * 
+     * Tracing the phase boundaries that separate the two-phase region from the three-phase region
+     * (Lines III and IV in Fig. 1). These phase boundaries emerge from the three-phase points or
+     * exist as isolated lines.
+     * 
+     */
+
+
+    // Step 1.
+    // Tracing the dewline segments that separate the single-phase region from the
+    // two-phase region (Lines I and II in Fig. 1).
+    //
+    system.setTemperature(0.0, "C");
+    system.setPressure(lowPres, "atm");
+    // initializing fluid and calculaton K-values according to Wilson
+    system.init(0);
+
+    // Create a thermodynamic operation object for the fluid
+    ops = new ThermodynamicOperations(system);
+
+    // Initialize with threee steps along dew point line
+    startTraceDewPointLine();
+
+    double dewPointPressure = system.getPressure("bara");
+    // at the moment we use the HC phase envelope method in the super class
+    // super.run();
+  }
+
+  private void startTraceDewPointLine() {
+    double highDewPointTemperature = 0.0;
+    system.setPressure(lowPres);
+
+    try {
+      ops.dewPointTemperatureFlash(false);
+    } catch (Exception e) {
+      logger.error(e.toString());
+    }
+
+
+
+
+
+
+    for (int i = 0; i < 3; i++) {
+      // setting pressure to 1.0 atm
+      system.setPressure(lowPres + 1.0 * i, "atm");
+      // Calculate the dew point temprature of the fluid
+      try {
+        ops.dewPointTemperatureFlash(false);
+      } catch (Exception e) {
+        logger.error(e.toString());
+      }
+      if (checkForThreePhases()) {
+        break;
+      }
+      data.add(new PhaseEnevelopePoint(system));
+    }
+  }
+
+  private boolean checkForThreePhases() {
+    try {
+      ops.TPflash();
+    } catch (Exception e) {
+      logger.error(e.toString());
+    }
+    if (system.getNumberOfPhases() > 2) {
+      return true;
+    } else {
+      return false;
+    }
+  }
+
+}

src/test/java/neqsim/thermodynamicOperations/phaseEnvelopeOps/multicomponentEnvelopeOps/pTphaseEnvelopeHCwaterTest.java

@@ -0,0 +1,67 @@
+package neqsim.thermodynamicOperations.phaseEnvelopeOps.multicomponentEnvelopeOps;
+
+import org.junit.jupiter.api.Test;
+import neqsim.thermo.system.SystemInterface;
+import neqsim.thermo.system.SystemSrkCPAstatoil;
+import neqsim.thermo.system.SystemSrkEos;
+import neqsim.thermodynamicOperations.ThermodynamicOperations;
+
+/**
+ * Tests for phase envelop algorithm as presented in: Lindeloff, N. and M.L. Michelsen, Phase
+ * envelope calculations for hydrocarbon-water mixtures. SPE Journal, 2003. 8(03): p. 298-303.
+ *
+ **/
+public class pTphaseEnvelopeHCwaterTest {
+  static SystemInterface thermoSystem = null;
+
+  /**
+   * In the currecnt test Fluid1 from the paper is tested.
+   **/
+  @Test
+  void testFluid1() {
+    thermoSystem = new SystemSrkEos(298.0, 10.0);
+    thermoSystem.addComponent("nitrogen", 0.34);
+    thermoSystem.addComponent("CO2", 0.84);
+    thermoSystem.addComponent("methane", 89.95);
+    thermoSystem.addComponent("ethane", 5.17);
+    thermoSystem.addComponent("propane", 2.04);
+    thermoSystem.addComponent("i-butane", 0.36);
+    thermoSystem.addComponent("n-butane", 0.55);
+    thermoSystem.addComponent("i-pentane", 0.14);
+    thermoSystem.addComponent("n-pentane", 0.10);
+    thermoSystem.addComponent("n-hexane", 0.01);
+    thermoSystem.addComponent("water", 500e-4);
+    thermoSystem.setMixingRule("classic");
+    thermoSystem.setMultiPhaseCheck(true);
+
+    ThermodynamicOperations testOps = new ThermodynamicOperations(thermoSystem);
+    testOps.calcPTphaseEnvelopeHCwater();
+
+  }
+
+  /**
+   * In the currecnt test Fluid2 from the paper is tested.
+   **/
+  @Test
+  void testFluid2() {
+    thermoSystem = new SystemSrkCPAstatoil(298.0, 10.0);
+    thermoSystem.addComponent("CO2", 2.79);
+    thermoSystem.addComponent("methane", 71.51);
+    thermoSystem.addComponent("ethane", 5.77);
+    thermoSystem.addComponent("propane", 4.10);
+    thermoSystem.addComponent("i-butane", 1.32);
+    thermoSystem.addComponent("n-butane", 1.60);
+    thermoSystem.addComponent("i-pentane", 0.82);
+    thermoSystem.addComponent("n-pentane", 0.64);
+    thermoSystem.addComponent("n-hexane", 1.05);
+    thermoSystem.addTBPfraction("C7", 10.40, 191.0 / 1.0e3, 0.82);
+
+    thermoSystem.addComponent("water", 8.0);
+    thermoSystem.setMixingRule(10);
+    thermoSystem.setMultiPhaseCheck(true);
+
+    ThermodynamicOperations testOps = new ThermodynamicOperations(thermoSystem);
+    testOps.calcPTphaseEnvelopeHCwater();
+
+  }
+}