fix multiphase flash (#1286)

* update

* fixed error

Author: EvenSol

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

@@ -3338,7 +3338,7 @@ public final void initBeta() {
     }
     if (!isInitialized && this.getSumBeta() < 1.0 - phaseFractionMinimumLimit
         || this.getSumBeta() > 1.0 + phaseFractionMinimumLimit) {
-      logger.warn("SystemThermo:initBeta - Sum of beta does not equal 1.0. " + beta);
+      // logger.warn("SystemThermo:initBeta - Sum of beta does not equal 1.0. " + beta);
     }
   }
 
@@ -5104,7 +5104,9 @@ public void setMolarCompositionOfNamedComponents(String nameDef, double[] molarC
   }
 
   /**
-   * <p>setMixingRuleParametersForComponent.</p>
+   * <p>
+   * setMixingRuleParametersForComponent.
+   * </p>
    *
    * @param compName a {@link java.lang.String} object
    */

src/main/java/neqsim/thermodynamicoperations/flashops/TPmultiflash.java

@@ -324,8 +324,8 @@ public void stabilityAnalysis() {
         }
       }
     }
-
     for (int i = 0; i < minimumGibbsEnergySystem.getPhase(0).getNumberOfComponents(); i++) {
+
       if (minimumGibbsEnergySystem.getPhase(0).getComponent(i).isHydrocarbon()
           && minimumGibbsEnergySystem.getPhase(0).getComponent(i).getz() > 1e-50) {
         if (Math.abs(
@@ -344,15 +344,14 @@ public void stabilityAnalysis() {
         }
       }
     }
-
+    boolean checkdForHCmix = false;
     for (int j = system.getPhase(0).getNumberOfComponents() - 1; j >= 0; j--) {
       if (minimumGibbsEnergySystem.getPhase(0).getComponent(j).getx() < 1e-100
           || (minimumGibbsEnergySystem.getPhase(0).getComponent(j).getIonicCharge() != 0)
           || (minimumGibbsEnergySystem.getPhase(0).getComponent(j).isHydrocarbon()
               && j != hydrocarbonTestCompNumb && j != lightTestCompNumb)) {
         continue;
       }
-
       double nomb = 0.0;
       for (int cc = 0; cc < system.getPhase(0).getNumberOfComponents(); cc++) {
         nomb = cc == j ? 1.0 : 1.0e-12;
@@ -362,12 +361,23 @@ public void stabilityAnalysis() {
 
         if (clonedSystem.get(0).isPhase(1)) {
           try {
-            clonedSystem.get(0).getPhase(1).getComponent(cc).setx(nomb);
+            if (system.getPhase(1).getType() == PhaseType.AQUEOUS && !checkdForHCmix) {
+              clonedSystem.get(0).getPhase(1).getComponent(cc)
+                  .setx(clonedSystem.get(0).getPhase(0).getComponent(cc).getK()
+                      / clonedSystem.get(0).getPhase(0).getComponent(cc).getx());
+            } else {
+              clonedSystem.get(0).getPhase(1).getComponent(cc).setx(nomb);
+            }
           } catch (Exception ex) {
             logger.warn(ex.getMessage());
           }
         }
       }
+
+      if (system.getPhase(1).getType() == PhaseType.AQUEOUS && !checkdForHCmix) {
+        checkdForHCmix = true;
+      }
+
       // if(minimumGibbsEnergySystem.getPhase(0).getComponent(j).getName().equals("water")
       // && minimumGibbsEnergySystem.isChemicalSystem()) continue;
       // logger.info("STAB CHECK COMP " +

src/test/java/neqsim/thermo/util/readwrite/EclipseFluidReadWriteTest.java

@@ -122,7 +122,8 @@ void testSetAllocationComposition() throws IOException {
     assertEquals(0.0046202437, x_methane_A19, 1e-9);
 
     // double[][] interactionParams =
-    // ((PhaseEos) testSystem.getPhase(0)).getMixingRule().getBinaryInteractionParameters();
+    // ((PhaseEos)
+    // testSystem.getPhase(0)).getMixingRule().getBinaryInteractionParameters();
 
     // System.out.println(Arrays.deepToString(interactionParams));
   }
@@ -134,7 +135,8 @@ void testReadFluid1() throws IOException {
     testSystem.setPressure(50.0, "bara");
 
     // neqsim.thermo.util.readwrite.TablePrinter.printTable(
-    // (((PhaseEos) testSystem.getPhase(0)).getMixingRule().getBinaryInteractionParameters()));
+    // (((PhaseEos)
+    // testSystem.getPhase(0)).getMixingRule().getBinaryInteractionParameters()));
 
     // for (int i = 0; i < testSystem.getNumberOfComponents(); i++) {
     // System.out.println(testSystem.getComponent(i).getName() + " TC "
@@ -173,8 +175,8 @@ void testFluidWater() throws IOException {
 
     // testSystem.prettyPrint();
 
-    neqsim.thermo.util.readwrite.TablePrinter.printTable(
-        (((PhaseEos) testSystem.getPhase(0)).getMixingRule().getBinaryInteractionParameters()));
+    //neqsim.thermo.util.readwrite.TablePrinter.printTable(
+   //     (((PhaseEos) testSystem.getPhase(0)).getMixingRule().getBinaryInteractionParameters()));
     double[][] paramsPhase0 =
         ((PhaseEos) testSystem.getPhase(0)).getMixingRule().getBinaryInteractionParameters();
     double[][] paramsPhase1 =
@@ -190,4 +192,28 @@ void testFluidWater() throws IOException {
       }
     }
   }
+
+  @Test
+  void testFluidWater2() throws IOException {
+    testSystem = EclipseFluidReadWrite.read(fluid_water);
+    testSystem.setMultiPhaseCheck(true);
+
+    // testSystem.init(0);
+
+    double molcomp[] = new double[] {.005823483446243756, 0.011911670685498591, 0.7510528953701038,
+        0.06432302170169239, 0.027440959875481938, 0.003176445516132957, 0.0068822986182880755,
+        0.0015882227580664785, 0.002029395746418279, 0.0018529265510775586, 0.0021176303440886383,
+        0.001235284367385039, 0.001235284367385039, 0.0008823459767035993, 0.00044117298835179964,
+        0.00017646919534071987, 0.00405500399809711783049249174136};
+
+    testSystem.setMolarComposition(molcomp);
+
+    ThermodynamicOperations testOps = new ThermodynamicOperations(testSystem);
+    testSystem.setPressure(60.0, "bara");
+    testSystem.setTemperature(65.0, "C");
+    testOps.TPflash();
+
+    Assertions.assertEquals(3, testSystem.getNumberOfPhases());
+
+  }
 }