update

equinor · Dec 9, 2024 · 7f887a6 · 7f887a6
1 parent 0a880ae
commit 7f887a6
Showing 1 changed file with 17 additions and 4 deletions.
diff --git a/src/main/java/neqsim/thermodynamicoperations/flashops/Flash.java b/src/main/java/neqsim/thermodynamicoperations/flashops/Flash.java
@@ -65,6 +65,7 @@ public int findLowestGibbsEnergyPhase() {
     if (!findLowestGibbsPhaseIsChecked) {
       minimumGibbsEnergySystem = system.clone();
       minimumGibbsEnergySystem.init(0);
+      minimumGibbsEnergySystem.setTotalNumberOfMoles(1.0);
       minimumGibbsEnergySystem.init(1);
       if ((minimumGibbsEnergySystem.getPhase(0).getGibbsEnergy()
           * (1.0 - Math.signum(minimumGibbsEnergySystem.getPhase(0).getGibbsEnergy())
@@ -119,8 +120,10 @@ public void stabilityAnalysis() throws neqsim.util.exception.IsNaNException,
     sumw[1] = 0.0;
     sumw[0] = 0.0;
     for (int i = 0; i < clonedSystem.getPhase(0).getNumberOfComponents(); i++) {
-      sumw[1] += clonedSystem.getPhase(0).getComponent(i).getz()
-          / clonedSystem.getPhase(0).getComponent(i).getK();
+      if (clonedSystem.getPhase(0).getComponent(i).getK() > 0) {
+        sumw[1] += clonedSystem.getPhase(0).getComponent(i).getz()
+            / clonedSystem.getPhase(0).getComponent(i).getK();
+      }
       if (clonedSystem.getPhase(0).getComponent(i).getz() > 0) {
         sumw[0] += clonedSystem.getPhase(0).getComponent(i).getK()
             * clonedSystem.getPhase(0).getComponent(i).getz();
@@ -168,7 +171,17 @@ public void stabilityAnalysis() throws neqsim.util.exception.IsNaNException,
 
         if ((iterations <= maxiterations - 10)
             || !system.isImplementedCompositionDeriativesofFugacity()) {
-          clonedSystem.init(1, j);
+          try {
+            clonedSystem.init(1, j);
+          } catch (Exception e) {
+            if (j == 0) {
+              clonedSystem.init(1, 1);
+            } else {
+              clonedSystem.init(1, 0);
+            }
+            logger.error(e.toString());
+            throw e;
+          }
           fNormOld = fNorm;
           for (int i = 0; i < clonedSystem.getPhases()[0].getNumberOfComponents(); i++) {
             f.set(i, 0, Math.sqrt(Wi[j][i]) * (Math.log(Wi[j][i])
@@ -263,7 +276,7 @@ public void stabilityAnalysis() throws neqsim.util.exception.IsNaNException,
       // logger.info("iterations " + iterations);
       // logger.info("f.norm1() " + f.norm1());
       if (iterations >= maxiterations) {
-        // logger.error("err staability check " + error[j]);
+        logger.error("err staability check " + error[j]);
         throw new neqsim.util.exception.TooManyIterationsException("too many iterations", null,
             maxiterations);
       }