Bug dehydration glycol column test and bug fixes

src/main/java/neqsim/log4j2.properties

@@ -4,7 +4,7 @@ name = PropertiesConfig
 filters = threshold
 
 filter.threshold.type = ThresholdFilter
-filter.threshold.level = debug
+filter.threshold.level = DEBUG
 
 appenders = console
 

src/main/java/neqsim/processSimulation/processEquipment/distillation/DistillationColumn.java

@@ -3,10 +3,8 @@
 import java.util.ArrayList;
 import java.util.Objects;
 import java.util.UUID;
-
 import org.apache.logging.log4j.LogManager;
 import org.apache.logging.log4j.Logger;
-
 import neqsim.processSimulation.processEquipment.ProcessEquipmentBaseClass;
 import neqsim.processSimulation.processEquipment.heatExchanger.Heater;
 import neqsim.processSimulation.processEquipment.mixer.Mixer;
@@ -38,6 +36,7 @@ public class DistillationColumn extends ProcessEquipmentBaseClass implements Dis
   double topTrayPressure = -1.0;
   double bottomTrayPressure = -1.0;
   int numberOfTrays = 1;
+  int maxNumberOfIterations = 10;
   private int feedTrayNumber = 1;
   StreamInterface stream_3 = new Stream("stream_3");
   StreamInterface gasOutStream = new Stream("gasOutStream");
@@ -48,6 +47,7 @@ public class DistillationColumn extends ProcessEquipmentBaseClass implements Dis
   neqsim.processSimulation.processSystem.ProcessSystem distoperations;
   Heater heater;
   Separator separator2;
+  private double err = 1.0e10;
 
   /**
    * <p>
@@ -157,7 +157,8 @@ public void init() {
         ((MixerInterface) trays.get(numberOfTrays - 1)).getThermoSystem().getTemperature();
     reboilerTemperature = ((MixerInterface) trays.get(0)).getThermoSystem().getTemperature();
 
-    // double deltaTemp = (reboilerTemperature - condenserTemperature) / (numberOfTrays * 1.0);
+    // double deltaTemp = (reboilerTemperature - condenserTemperature) /
+    // (numberOfTrays * 1.0);
     double feedTrayTemperature = getTray(getFeedTrayNumber()).getThermoSystem().getTemperature();
 
     double deltaTempCondenser =
@@ -324,7 +325,7 @@ public void run(UUID id) {
       if (isDoInitializion()) {
         this.init();
       }
-      double err = 1.0e10;
+      err = 1.0e10;
       double errOld;
       int iter = 0;
       double[] oldtemps = new double[numberOfTrays];
@@ -358,7 +359,7 @@ public void run(UUID id) {
           ((SimpleTray) trays.get(i)).run(id);
         }
 
-        for (int i = numberOfTrays - 2; i == feedTrayNumber; i--) {
+        for (int i = numberOfTrays - 2; i >= feedTrayNumber; i--) {
           int replaceStream = trays.get(i).getNumberOfInputStreams() - 1;
           ((Mixer) trays.get(i)).replaceStream(replaceStream,
               trays.get(i + 1).getLiquidOutStream());
@@ -369,10 +370,12 @@ public void run(UUID id) {
               oldtemps[i] - ((MixerInterface) trays.get(i)).getThermoSystem().getTemperature());
         }
         logger.info("error iter " + err + " iteration " + iter);
+        // System.out.println("error iter " + err + " iteration " + iter);
         // massBalanceCheck();
-      } while (err > 1e-4 && err < errOld && iter < 10); // && !massBalanceCheck());
-
+      } while (err > 1e-4 && err < errOld && iter < maxNumberOfIterations); // &&
+                                                                            // !massBalanceCheck());
       // massBalanceCheck();
+      // componentMassBalanceCheck("water");
       gasOutStream.setThermoSystem(
           trays.get(numberOfTrays - 1).getGasOutStream().getThermoSystem().clone());
       gasOutStream.setCalculationIdentifier(id);
@@ -393,6 +396,69 @@ public void displayResult() {
     distoperations.displayResult();
   }
 
+  /**
+   * <p>
+   * component componentMassBalanceCheck.
+   * </p>
+   *
+   * @return a boolean
+   */
+  public boolean componentMassBalanceCheck(String componentName) {
+    double[] massInput = new double[numberOfTrays];
+    double[] massOutput = new double[numberOfTrays];
+    double[] massBalance = new double[numberOfTrays];
+    double[] massFeedInput = new double[numberOfTrays];
+    for (int i = 0; i < numberOfTrays; i++) {
+      int numberOfInputStreams = trays.get(i).getNumberOfInputStreams() - 2;
+      if (i == 0 || i == numberOfTrays - 1) {
+        numberOfInputStreams = trays.get(i).getNumberOfInputStreams() - 1;
+      }
+
+      for (int j = 0; j < numberOfInputStreams; j++) {
+        for (int k = 0; k < trays.get(i).getStream(j).getFluid().getNumberOfPhases(); k++) {
+          massFeedInput[i] += trays.get(i).getStream(j).getFluid().getPhase(k)
+              .getComponent(componentName).getFlowRate("kg/hr");
+        }
+      }
+
+    }
+
+    for (int i = 0; i < numberOfTrays; i++) {
+      int numberOfInputStreams = trays.get(i).getNumberOfInputStreams();
+      for (int j = 0; j < numberOfInputStreams; j++) {
+        for (int k = 0; k < trays.get(i).getStream(j).getFluid().getNumberOfPhases(); k++) {
+          massInput[i] += trays.get(i).getStream(j).getFluid().getPhase(k)
+              .getComponent(componentName).getFlowRate("kg/hr");
+        }
+      }
+      massOutput[i] += trays.get(i).getGasOutStream().getFluid().getComponent(componentName)
+          .getFlowRate("kg/hr");
+      massOutput[i] += trays.get(i).getLiquidOutStream().getFluid().getComponent(componentName)
+          .getFlowRate("kg/hr");
+      massBalance[i] = massInput[i] - massOutput[i];
+
+      System.out.println("component " + componentName + " tray " + i + " number of input streams "
+          + numberOfInputStreams + " massinput " + massInput[i] + " massoutput " + massOutput[i]
+          + " massbalance " + massBalance[i] + " gasout "
+          + trays.get(i).getGasOutStream().getFluid().getComponent("water").getFlowRate("kg/hr")
+          + " liquidout "
+          + trays.get(i).getLiquidOutStream().getFluid().getComponent("water").getFlowRate("kg/hr")
+          + " pressure " + trays.get(i).getGasOutStream().getPressure() + " temperature "
+          + trays.get(i).getGasOutStream().getTemperature("C") + " feedtotray " + massFeedInput[i]);
+
+    }
+
+    double massError = 0.0;
+    for (int i = 0; i < numberOfTrays; i++) {
+      massError += Math.abs(massBalance[i]);
+    }
+    if (massError > 1e-6) {
+      return false;
+    } else {
+      return true;
+    }
+  }
+
   /**
    * <p>
    * massBalanceCheck.
@@ -405,7 +471,8 @@ public boolean massBalanceCheck() {
     double[] massOutput = new double[numberOfTrays];
     double[] massBalance = new double[numberOfTrays];
     // System.out.println("water in feed "
-    // + feedStream.getFluid().getPhase(0).getComponent("water").getNumberOfmoles());
+    // +
+    // feedStream.getFluid().getPhase(0).getComponent("water").getNumberOfmoles());
     // System.out.println("water in strip gas feed " +
     // trays.get(0).getStream(0).getFluid().getPhase(0)
     // .getComponent("water").getNumberOfmoles());
@@ -429,7 +496,7 @@ public boolean massBalanceCheck() {
        * " water in gasout " +
        * trays.get(i).getGasOutStream().getFluid().getPhase(0).getComponent("water")
        * .getNumberOfmoles() + " water in liquidout " +
-       * trays.get(i).getLiquidOutStream().getFluid().getPhase(0).getComponent("water")
+       * trays.get(i).getLiquidOutStream().getFluid().getPhase(0).getComponent( "water")
        * .getNumberOfmoles() + " pressure " + trays.get(i).getGasOutStream().getPressure() +
        * " temperature " + trays.get(i).getGasOutStream().getTemperature("C"));
        */
@@ -651,6 +718,28 @@ public double getInternalDiameter() {
     return internalDiameter;
   }
 
+  /**
+   * <p>
+   * Getter for the field <code>solved</code>.
+   * </p>
+   *
+   * @return a boolean
+   */
+  public boolean solved() {
+    return (err < 1e-4);
+  }
+
+  /**
+   * <p>
+   * Setter for the field <code>maxNumberOfIterations</code>.
+   * </p>
+   *
+   * @param maxIter a double
+   */
+  public void setMaxNumberOfIterations(int maxIter) {
+    this.maxNumberOfIterations = maxIter;
+  }
+
   /**
    * <p>
    * Setter for the field <code>internalDiameter</code>.

src/test/java/neqsim/processSimulation/processEquipment/distillation/DistillationColumnTest.java

@@ -0,0 +1,123 @@
+package neqsim.processSimulation.processEquipment.distillation;
+
+import static org.junit.jupiter.api.Assertions.assertEquals;
+import org.junit.jupiter.api.BeforeEach;
+import org.junit.jupiter.api.Test;
+import neqsim.processSimulation.processEquipment.stream.Stream;
+
+public class DistillationColumnTest {
+
+  /**
+   * @throws java.lang.Exception
+   */
+  @BeforeEach
+
+  @Test
+  public void DistillationColumnTest() throws Exception {
+
+    neqsim.thermo.system.SystemInterface richTEG =
+        new neqsim.thermo.system.SystemSrkCPAstatoil(273.15 + 42.0, 10.00);
+    richTEG.addComponent("nitrogen", 0.0003884521907420086);
+    richTEG.addComponent("CO2", 0.3992611934362681);
+    richTEG.addComponent("methane", 0.1707852619527612);
+    richTEG.addComponent("ethane", 0.20533172990208282);
+    richTEG.addComponent("propane", 0.28448628224749795);
+    richTEG.addComponent("i-butane", 0.04538593257021818);
+    richTEG.addComponent("n-butane", 0.0001078982825);
+    richTEG.addComponent("i-pentane", 0.0008015009931573362);
+    richTEG.addComponent("n-pentane", 0.00007597175884128077);
+    richTEG.addComponent("n-hexane", 0.0000735238469338);
+    richTEG.addComponent("n-heptane", 0.0);
+    richTEG.addComponent("nC8", 0.0);
+    richTEG.addComponent("nC9", 0.0);
+    richTEG.addComponent("benzene", 0.001);
+    richTEG.addComponent("water", 9.281170624865437);
+    richTEG.addComponent("TEG", 88.61393191277175);
+    richTEG.setMixingRule(10);
+    richTEG.setMultiPhaseCheck(false);
+    richTEG.init(0);
+
+    neqsim.thermo.system.SystemInterface gasToReboiler =
+        new neqsim.thermo.system.SystemSrkCPAstatoil(273.15 + 42.0, 10.00);
+    gasToReboiler.addComponent("nitrogen", 0.007104922868929818);
+    gasToReboiler.addComponent("CO2", 4.944830745821265);
+    gasToReboiler.addComponent("methane", 3.013439464714221);
+    gasToReboiler.addComponent("ethane", 3.1119159322353815);
+    gasToReboiler.addComponent("propane", 4.001381171330917);
+    gasToReboiler.addComponent("i-butane", 0.6934008192075206);
+    gasToReboiler.addComponent("n-butane", 0.684816349773283);
+    gasToReboiler.addComponent("i-pentane", 0.24185783393270);
+    gasToReboiler.addComponent("n-pentane", 0.0032322868124);
+    gasToReboiler.addComponent("n-hexane", 0.0002651);
+    gasToReboiler.addComponent("n-heptane", 0.0);
+    gasToReboiler.addComponent("nC8", 0.0);
+    gasToReboiler.addComponent("nC9", 0.0);
+    gasToReboiler.addComponent("benzene", 0.000);
+    gasToReboiler.addComponent("water", 63.419578687948665);
+    gasToReboiler.addComponent("TEG", 4.293253985703371);
+    gasToReboiler.setMixingRule(10);
+    gasToReboiler.setMultiPhaseCheck(false);
+    gasToReboiler.init(0);
+
+    Stream richTEGStream = new Stream("richTEGS", richTEG);
+    richTEGStream.setFlowRate(9400.0, "kg/hr");
+    richTEGStream.setTemperature(100, "C");
+    richTEGStream.setPressure(1.12, "bara");
+    richTEGStream.run();
+
+    Stream gasToReboilerStream = new Stream("gasToReboilerS", gasToReboiler);
+    gasToReboilerStream.setFlowRate(290, "kg/hr");
+    gasToReboilerStream.setTemperature(200, "C");
+    gasToReboilerStream.setPressure(1.12, "bara");
+    gasToReboilerStream.run();
+
+    DistillationColumn column = new DistillationColumn(1, true, true);
+    column.setName("TEG regeneration column");
+    column.addFeedStream(richTEGStream, 1);
+    column.getReboiler().setOutTemperature(273.15 + 202);
+    // column.getCondenser().setOutTemperature(273.15 + 95);
+    column.getCondenser().setHeatInput(-30000.0);
+    column.getTray(1).addStream(gasToReboilerStream);
+    column.setTopPressure(1.12);
+    column.setBottomPressure(1.12);
+    column.setInternalDiameter(0.56);
+    // while (!column.solved()) {
+    column.run();
+    // }
+
+    double waterFlowRateInColumn =
+        richTEGStream.getFluid().getPhase(0).getComponent("water").getFlowRate("kg/hr")
+            + richTEGStream.getFluid().getPhase(1).getComponent("water").getFlowRate("kg/hr");
+    double waterFlowRateInColumn2 = richTEGStream.getFluid().getComponent("water").getMolarMass()
+        * richTEGStream.getFluid().getFlowRate("mole/hr")
+        * richTEGStream.getFluid().getComponent("water").getz();
+    assertEquals(waterFlowRateInColumn, waterFlowRateInColumn2, 0.00001);
+
+    double waterFlowRateInColumnGasToReb = gasToReboilerStream.getFluid().getFlowRate("mole/hr")
+        * gasToReboilerStream.getFluid().getComponent("water").getMolarMass()
+        * gasToReboilerStream.getFluid().getComponent("water").getz();
+    double waterFlowRateOutColumn = column.getGasOutStream().getFluid().getFlowRate("mole/hr")
+        * column.getGasOutStream().getFluid().getComponent("water").getMolarMass()
+        * column.getGasOutStream().getFluid().getComponent("water").getz();
+    double waterFlowRateOutColumnLeanTEG =
+        column.getLiquidOutStream().getFluid().getFlowRate("mole/hr")
+            * column.getLiquidOutStream().getFluid().getComponent("water").getMolarMass()
+            * column.getLiquidOutStream().getFluid().getComponent("water").getz();
+
+
+    double totalWaterIn = waterFlowRateInColumn2 + waterFlowRateInColumnGasToReb;
+    double totalWaterOut = waterFlowRateOutColumn + waterFlowRateOutColumnLeanTEG;
+
+    System.out.println("Column in is " + totalWaterIn + " kg/hr");
+    System.out.println("Column out is " + totalWaterOut + " kg/hr");
+    System.out.println("Column is solved  " + column.solved());
+
+
+    assertEquals(totalWaterIn, totalWaterOut, 0.1);
+
+    System.out.println("Calc Water Flow rate via fluid component " + waterFlowRateInColumn);
+    System.out.println("Calc Water Flow rate via molar mass and flow rate total "
+        + waterFlowRateInColumn2 + " kg/hr");
+
+  }
+}