fix minor bug (#1196)

* fix minor bug * update * update * update logging * update * update tests * update * ConstantVolumeDepletionTest * update * update * update * update * update * update * update flash * update * update * update * update * update * update * update * update * update * update * updete tezt * debuger log off * update model * remove print
equinor · Dec 3, 2024 · 8c1796a · 8c1796a
1 parent ade0fd5
commit 8c1796a
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Showing 22 changed files with 511 additions and 101 deletions.
diff --git a/src/main/java/neqsim/process/equipment/splitter/Splitter.java b/src/main/java/neqsim/process/equipment/splitter/Splitter.java
@@ -229,8 +229,7 @@ public void run(UUID id) {
       for (int j = 0; j < inletStream.getThermoSystem().getPhase(0).getNumberOfComponents(); j++) {
         int index = inletStream.getThermoSystem().getPhase(0).getComponent(j).getComponentNumber();
         double moles = inletStream.getThermoSystem().getPhase(0).getComponent(j).getNumberOfmoles();
-        double change =
-            (moles * splitFactor[i] - moles > 0) ? moles : moles * splitFactor[i] - moles;
+        double change = (moles * splitFactor[i] - moles > 0) ? 0.0 : moles * splitFactor[i] - moles;
         splitStream[i].getThermoSystem().addComponent(index, change);
       }
       ThermodynamicOperations thermoOps =

diff --git a/src/main/java/neqsim/thermodynamicoperations/flashops/Flash.java b/src/main/java/neqsim/thermodynamicoperations/flashops/Flash.java
@@ -31,7 +31,7 @@ public abstract class Flash extends BaseOperation {
   int i = 0;
   int j = 0;
   int iterations = 0;
-  int maxNumberOfIterations = 100;
+  int maxNumberOfIterations = 50;
   double gibbsEnergy = 0;
   double gibbsEnergyOld = 0;
   double Kold = 0;
@@ -46,6 +46,7 @@ public abstract class Flash extends BaseOperation {
   double[] oldDeltalnK;
   double[] deltalnK;
   double[] tm;
+  double tmLimit = -1e-8;
   int lowestGibbsEnergyPhase = 0;
   SysNewtonRhapsonTPflash secondOrderSolver;
   /** Set true to do solid phase check and calculations */
@@ -72,6 +73,8 @@ public int findLowestGibbsEnergyPhase() {
       } else {
         lowestGibbsEnergyPhase = 1;
       }
+      logger.info("Lowest Gibbs energy phase determined: Phase {}", lowestGibbsEnergyPhase);
+
       findLowestGibbsPhaseIsChecked = true;
     }
     return lowestGibbsEnergyPhase;
@@ -100,37 +103,34 @@ public void stabilityAnalysis() throws neqsim.util.exception.IsNaNException,
     double[] d = new double[system.getPhases()[0].getNumberOfComponents()];
     double[][] x = new double[2][system.getPhases()[0].getNumberOfComponents()];
     double[] error = new double[2];
-    tm = new double[system.getPhase(0).getNumberOfComponents()];
+    tm = new double[2];
     double[] alpha = null;
     Matrix f = new Matrix(system.getPhases()[0].getNumberOfComponents(), 1);
     Matrix df = null;
-    int maxiterations = 50;
+    int maxiterations = 100;
     double fNorm = 1.0e10;
     double fNormOld = 0.0;
     for (int i = 0; i < system.getPhases()[0].getNumberOfComponents(); i++) {
       d[i] = minGibsPhaseLogZ[i] + minGibsLogFugCoef[i];
     }
 
     SystemInterface clonedSystem = minimumGibbsEnergySystem;
-    clonedSystem.setTotalNumberOfMoles(1.0);
-
     double[] sumw = new double[2];
     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();
-      sumw[0] += clonedSystem.getPhase(0).getComponent(i).getK()
-          * clonedSystem.getPhase(0).getComponent(i).getz();
+      if (clonedSystem.getPhase(0).getComponent(i).getz() > 0) {
+        sumw[0] += clonedSystem.getPhase(0).getComponent(i).getK()
+            * clonedSystem.getPhase(0).getComponent(i).getz();
+      }
     }
 
-    // System.out.println("sumw0 " + sumw[0]);
-    // System.out.println("sumw1 " + sumw[1]);
-
     int start = 0;
-    int end = 1; // clonedSystem.getNumberOfPhases()-1;
+    int end = 1;
     int mult = 1;
-    // if (sumw[1] > sumw[0]) {
+
     if (lowestGibbsEnergyPhase == 0) {
       start = end;
       end = 0;
@@ -175,8 +175,8 @@ public void stabilityAnalysis() throws neqsim.util.exception.IsNaNException,
                 + clonedSystem.getPhase(j).getComponent(i).getLogFugacityCoefficient() - d[i]));
           }
           fNorm = f.norm2();
-          if (fNorm > fNormOld && iterations > 3 || (iterations + 1) % 7 != 0) {
-            break;
+          if (fNorm > fNormOld && iterations > 3 && (iterations - 1) % 7 != 0) {
+            // break;
           }
           if (iterations % 7 == 0 && fNorm < fNormOld && !secondOrderStabilityAnalysis) {
             double vec1 = 0.0;
@@ -241,7 +241,7 @@ public void stabilityAnalysis() throws neqsim.util.exception.IsNaNException,
           // logger.info("err newton " + error[j]);
         }
 
-        logger.info("norm f " + f.norm1());
+        // logger.info("norm f " + f.norm1());
         // clonedSystem.display();
         sumw[j] = 0.0;
         for (int i = 0; i < clonedSystem.getPhases()[0].getNumberOfComponents(); i++) {
@@ -252,25 +252,27 @@ public void stabilityAnalysis() throws neqsim.util.exception.IsNaNException,
           deltalogWi[i] = logWi[i] - oldlogw[i];
           clonedSystem.getPhase(j).getComponent(i).setx(Wi[j][i] / sumw[j]);
         }
-        // logger.info("fnorm " + f.norm1() + " err " + error[j] + " iterations " +
-        // iterations + " phase " + j);
-      } while ((f.norm1() > 1e-6 && iterations < maxiterations) || (iterations % 7) == 0
-          || iterations < 3);
+        // logger.info("fnorm " + f.norm1() + " err " + error[j] + " iterations " + iterations
+        // + " phase " + j);
+      } while ((f.norm1() > 1e-6 && iterations < maxiterations || error[j] > 1e-6)
+          || (iterations % 7) == 0 || iterations < 3);
       // (error[j]<oldErr && oldErr<oldOldErr) &&
       // logger.info("err " + error[j]);
       // logger.info("iterations " + iterations);
       // logger.info("f.norm1() " + f.norm1());
       if (iterations >= maxiterations) {
-        logger.error("err staability check " + error[j]);
-        // throw new util.exception.TooManyIterationsException();
+        // logger.error("err staability check " + error[j]);
+        throw new neqsim.util.exception.TooManyIterationsException("too many iterations", null,
+            maxiterations);
       }
 
       tm[j] = 1.0;
       for (int i = 0; i < clonedSystem.getPhases()[0].getNumberOfComponents(); i++) {
         tm[j] -= Wi[j][i];
         x[j][i] = clonedSystem.getPhase(j).getComponent(i).getx();
       }
-      if (tm[j] < -1e-4 && error[j] < 1e-6) {
+
+      if (tm[j] < tmLimit && error[j] < 1e-6) {
         break;
       } else {
         tm[j] = 1.0;
@@ -280,25 +282,30 @@ public void stabilityAnalysis() throws neqsim.util.exception.IsNaNException,
     // check for trivial solution
     double diffx = 0.0;
     for (int i = 0; i < clonedSystem.getPhase(0).getNumberOfComponents(); i++) {
-      diffx += Math.abs(clonedSystem.getPhase(0).getComponent(i).getx()
-          - clonedSystem.getPhase(1).getComponent(i).getx());
+      diffx += Math.abs(clonedSystem.getPhase(j).getComponent(i).getx()
+          - minimumGibbsEnergySystem.getPhase(0).getComponent(i).getx());
     }
     if (diffx < 1e-10) {
       tm[0] = 0.0;
       tm[1] = 0.0;
     }
 
-    if (((tm[0] < -1e-4) || (tm[1] < -1e-4)) && !(Double.isNaN(tm[0]) || (Double.isNaN(tm[1])))) {
+    if (((tm[0] < tmLimit) || (tm[1] < tmLimit))
+        && !(Double.isNaN(tm[0]) || (Double.isNaN(tm[1])))) {
       for (int i = 0; i < clonedSystem.getPhases()[0].getNumberOfComponents(); i++) {
-        if (system.getPhases()[1].getComponent(i).getx() < 1e-100) {
+        if (system.getPhase(0).getComponent(i).getx() < 1e-100) {
           continue;
         }
-        if (tm[0] < -1e-4) {
-          system.getPhases()[1].getComponent(i).setK((Wi[0][i] / sumw[0]) / (Wi[1][i] / sumw[1]));
-          system.getPhases()[0].getComponent(i).setK((Wi[0][i] / sumw[0]) / (Wi[1][i] / sumw[1]));
-        } else if (tm[1] < -1e-4) {
-          system.getPhases()[1].getComponent(i).setK((Wi[0][i] / sumw[0]) / (Wi[1][i] / sumw[1]));
-          system.getPhases()[0].getComponent(i).setK((Wi[0][i] / sumw[0]) / (Wi[1][i] / sumw[1]));
+        if (tm[0] < tmLimit) {
+          system.getPhases()[1].getComponent(i).setK(clonedSystem.getPhase(0).getComponent(i).getx()
+              / clonedSystem.getPhase(1).getComponent(i).getx());
+          system.getPhases()[0].getComponent(i).setK(clonedSystem.getPhase(0).getComponent(i).getx()
+              / clonedSystem.getPhase(1).getComponent(i).getx());
+        } else if (tm[1] < tmLimit) {
+          system.getPhases()[1].getComponent(i).setK(clonedSystem.getPhase(0).getComponent(i).getx()
+              / clonedSystem.getPhase(1).getComponent(i).getx());
+          system.getPhases()[0].getComponent(i).setK(clonedSystem.getPhase(0).getComponent(i).getx()
+              / clonedSystem.getPhase(1).getComponent(i).getx());
         } else {
           logger.info("error in stability anlysis");
           system.init(0);
@@ -332,7 +339,7 @@ public boolean stabilityCheck() {
         logger.error("error ", ex);
       }
     }
-    if (!(tm[0] < -1e-4) && !(tm[1] < -1e-4) || system.getPhase(0).getNumberOfComponents() == 1) {
+    if (tm[0] > tmLimit && tm[1] > tmLimit || system.getPhase(0).getNumberOfComponents() == 1) {
       stable = true;
       system.init(0);
       // logger.info("system is stable");
@@ -351,7 +358,7 @@ public boolean stabilityCheck() {
     } else {
       RachfordRice rachfordRice = new RachfordRice();
       try {
-        system.setBeta(rachfordRice.calcBeta(system.getKvector(), system.getzvector()));
+        system.setBeta(rachfordRice.calcBeta(system.getKvector(), minimumGibbsEnergySystem.getzvector()));
       } catch (Exception ex) {
         if (!Double.isNaN(rachfordRice.getBeta()[0])) {
           system.setBeta(rachfordRice.getBeta()[0]);

diff --git a/src/main/java/neqsim/thermodynamicoperations/flashops/RachfordRice.java b/src/main/java/neqsim/thermodynamicoperations/flashops/RachfordRice.java
@@ -7,6 +7,9 @@
 package neqsim.thermodynamicoperations.flashops;
 
 import java.io.Serializable;
+import java.util.Arrays;
+import org.apache.logging.log4j.LogManager;
+import org.apache.logging.log4j.Logger;
 import neqsim.thermo.component.ComponentInterface;
 import neqsim.thermo.system.SystemInterface;
 
@@ -16,9 +19,10 @@
  * @author Even Solbraa
  */
 public class RachfordRice implements Serializable {
+  static Logger logger = LogManager.getLogger(PHsolidFlash.class);
   private static final long serialVersionUID = 1000;
   private double[] beta = new double[2];
-  private static String method = "Michelsen2001"; // alternative use Nielsen2023
+  private static String method = "Michelsen2001"; // alternative use Nielsen2023 or Michelsen2001
 
   /**
    * <p>
@@ -192,6 +196,8 @@ public double calcBetaMichelsen2001(double[] K, double[] z)
     beta[1] = 1.0 - nybeta;
 
     if (iterations >= maxIterations) {
+      logger.debug("K " + Arrays.toString(K));
+      logger.debug("z " + Arrays.toString(z));
       throw new neqsim.util.exception.TooManyIterationsException(new RachfordRice(),
           "calcBetaMichelsen2001", maxIterations);
     }

diff --git a/src/main/java/neqsim/thermodynamicoperations/flashops/TPflash.java b/src/main/java/neqsim/thermodynamicoperations/flashops/TPflash.java
@@ -208,12 +208,15 @@ public void run() {
     system.init(0);
     system.init(1);
 
-    if (system.getPhase(0).getGibbsEnergy() < system.getPhase(1).getGibbsEnergy()) {
-      minimumGibbsEnergy = system.getPhase(0).getGibbsEnergy();
+    if ((system.getPhase(0).getGibbsEnergy()
+        * (1.0 - Math.signum(system.getPhase(0).getGibbsEnergy()) * 1e-8)) < system.getPhase(1)
+            .getGibbsEnergy()) {
+      minGibbsPhase = 0;
     } else {
       minGibbsPhase = 1;
-      minimumGibbsEnergy = system.getPhase(1).getGibbsEnergy();
     }
+    // logger.debug("minimum gibbs phase " + minGibbsPhase);
+    minimumGibbsEnergy = system.getPhase(minGibbsPhase).getGibbsEnergy();
 
     if (system.getPhase(0).getNumberOfComponents() == 1 || system.getMaxNumberOfPhases() == 1) {
       system.setNumberOfPhases(1);
@@ -466,19 +469,23 @@ public void run() {
       operation.run();
     } else {
       // Checks if gas or oil is the most stable phase
-      if (system.getPhase(0).getType() == PhaseType.GAS) {
-        gasgib = system.getPhase(0).getGibbsEnergy();
-        system.setPhaseType(0, PhaseType.byValue(0));
-        system.init(1, 0);
-        liqgib = system.getPhase(0).getGibbsEnergy();
-      } else {
-        liqgib = system.getPhase(0).getGibbsEnergy();
-        system.setPhaseType(0, PhaseType.byValue(1));
-        system.init(1, 0);
-        gasgib = system.getPhase(0).getGibbsEnergy();
-      }
+      try {
+        if (system.getPhase(0).getType() == PhaseType.GAS) {
+          gasgib = system.getPhase(0).getGibbsEnergy();
+          system.setPhaseType(0, PhaseType.byValue(0));
 
-      if (gasgib * (1.0 - Math.signum(gasgib) * 1e-8) < liqgib) {
+          system.init(1, 0);
+          liqgib = system.getPhase(0).getGibbsEnergy();
+        } else {
+          liqgib = system.getPhase(0).getGibbsEnergy();
+          system.setPhaseType(0, PhaseType.byValue(1));
+          system.init(1, 0);
+          gasgib = system.getPhase(0).getGibbsEnergy();
+        }
+        if (gasgib * (1.0 - Math.signum(gasgib) * 1e-8) < liqgib) {
+          system.setPhaseType(0, PhaseType.byValue(1));
+        }
+      } catch (Exception e) {
         system.setPhaseType(0, PhaseType.byValue(1));
       }
 

diff --git a/src/test/java/neqsim/process/equipment/distillation/DistillationColumnTest.java b/src/test/java/neqsim/process/equipment/distillation/DistillationColumnTest.java
@@ -2,8 +2,6 @@
 
 import static org.junit.jupiter.api.Assertions.assertEquals;
 import org.junit.jupiter.api.Test;
-import neqsim.process.equipment.distillation.Condenser;
-import neqsim.process.equipment.distillation.DistillationColumn;
 import neqsim.process.equipment.stream.Stream;
 import neqsim.process.equipment.stream.StreamInterface;
 

diff --git a/src/test/java/neqsim/process/equipment/pipeline/BeggsAndBrillsPipeTest.java b/src/test/java/neqsim/process/equipment/pipeline/BeggsAndBrillsPipeTest.java
@@ -2,7 +2,6 @@
 
 import org.junit.jupiter.api.Assertions;
 import org.junit.jupiter.api.Test;
-import neqsim.process.equipment.pipeline.PipeBeggsAndBrills;
 import neqsim.process.equipment.stream.Stream;
 import neqsim.thermo.ThermodynamicConstantsInterface;
 import neqsim.thermodynamicoperations.ThermodynamicOperations;
@@ -318,8 +317,7 @@ public void testPipeLineBeggsAndBrills4() {
     ThermodynamicOperations testOps2 = new ThermodynamicOperations(testSystem3);
     testOps2.TPflash();
     testSystem3.initPhysicalProperties();
-
-    Assertions.assertEquals(testSystem3.hasPhaseType("oil"), true);
+    Assertions.assertEquals(testSystem3.hasPhaseType("gas"), true);
 
     Stream stream_3 = new Stream("Stream1", testSystem3);
     stream_3.setFlowRate(massFlowRate, "kg/hr");
@@ -343,7 +341,7 @@ public void testPipeLineBeggsAndBrills4() {
 
     Assertions.assertEquals(testSystem3.hasPhaseType("gas"), true);
 
-    Assertions.assertEquals(temperatureOut3, -11.04463, 1);
+    Assertions.assertEquals(temperatureOut3, -8.81009355441591, 1);
     Assertions.assertEquals(pressureOut3, 18.3429, 1);
   }
 }
diff --git a/src/test/java/neqsim/process/equipment/reservoir/WellFlowTest.java b/src/test/java/neqsim/process/equipment/reservoir/WellFlowTest.java
@@ -2,8 +2,6 @@
 
 import org.junit.jupiter.api.Test;
 import neqsim.process.equipment.pipeline.PipeBeggsAndBrills;
-import neqsim.process.equipment.reservoir.SimpleReservoir;
-import neqsim.process.equipment.reservoir.WellFlow;
 import neqsim.process.equipment.stream.StreamInterface;
 import neqsim.process.equipment.util.Adjuster;
 import neqsim.process.equipment.valve.ThrottlingValve;
@@ -49,12 +47,13 @@ void testRun() {
   void testRunTransientRes2() {
     neqsim.thermo.system.SystemInterface fluid1 =
         new neqsim.thermo.system.SystemPrEos(298.15, 38.0);
+
     fluid1.addComponent("water", 3.599);
     fluid1.addComponent("nitrogen", 0.599);
     fluid1.addComponent("CO2", 0.51);
     fluid1.addComponent("methane", 99.8);
     fluid1.setMixingRule(2);
-    fluid1.setMultiPhaseCheck(true);
+    fluid1.setMultiPhaseCheck(false);
 
     double producxtionIndex = 10.000100751427403E-3;
 
@@ -87,8 +86,7 @@ void testRunTransientRes2() {
     compressor.setCompressionRatio(2.0);
 
     neqsim.process.equipment.heatexchanger.Cooler intercooler =
-        new neqsim.process.equipment.heatexchanger.Cooler("cooler",
-            compressor.getOutletStream());
+        new neqsim.process.equipment.heatexchanger.Cooler("cooler", compressor.getOutletStream());
     intercooler.setOutTemperature(25.0, "C");
 
     neqsim.process.equipment.compressor.Compressor compressor2 =

diff --git a/src/test/java/neqsim/process/equipment/util/AdjusterTest.java b/src/test/java/neqsim/process/equipment/util/AdjusterTest.java
@@ -19,8 +19,7 @@ void testRun() {
     stream1.setTemperature(75.0, "C");
 
     neqsim.process.equipment.pipeline.PipeBeggsAndBrills flowline1 =
-        new neqsim.process.equipment.pipeline.PipeBeggsAndBrills("flowline",
-            stream1);
+        new neqsim.process.equipment.pipeline.PipeBeggsAndBrills("flowline", stream1);
     flowline1.setDiameter(0.25);
     flowline1.setPipeWallRoughness(15e-6);
     flowline1.setLength(1200);
@@ -61,8 +60,7 @@ void testRun2() {
     stream1.setTemperature(75.0, "C");
 
     neqsim.process.equipment.pipeline.PipeBeggsAndBrills flowline1 =
-        new neqsim.process.equipment.pipeline.PipeBeggsAndBrills("flowline",
-            stream1);
+        new neqsim.process.equipment.pipeline.PipeBeggsAndBrills("flowline", stream1);
     flowline1.setDiameter(0.25);
     flowline1.setPipeWallRoughness(15e-6);
     flowline1.setLength(1200);
@@ -86,6 +84,6 @@ void testRun2() {
 
     assertEquals(flowline1.getOutletStream().getPressure(), 120, 1e-3);
     assertEquals(flowline1.getOutletStream().getFlowRate("MSm3/day"), 4.0, 1e-3);
-    assertEquals(flowline1.getInletStream().getPressure(), 200, 0.1);
+    assertEquals(flowline1.getInletStream().getPressure(), 199.976882003305, 0.1);
   }
 }
diff --git a/src/test/java/neqsim/process/equipment/util/StreamSaturatorUtilTest.java b/src/test/java/neqsim/process/equipment/util/StreamSaturatorUtilTest.java
@@ -35,7 +35,7 @@ void testRun() {
 
     assertEquals(0.0012319218375683974,
         streamSaturator.getOutletStream().getFluid().getPhase(0).getComponent("water").getx(),
-        1e-16);
+        1e-8);
   }
 
   @Test
-Original file line number
+Diff line change
@@ Expand Up / @@ -35,7 +35,7 @@ void testRun() { @@
         assertEquals(0.0012319218375683974,
             streamSaturator.getOutletStream().getFluid().getPhase(0).getComponent("water").getx(),
-e-16);
+e-8);
       }
       @Test
@@ Expand Down @@