fix bug in PC calculation for oil components and all tests

src/main/java/neqsim/physicalProperties/interfaceProperties/surfaceTension/SurfaceTension.java

@@ -67,7 +67,7 @@ public double calcSurfaceTension(int interface1, int interface2) {
    */
   public int getComponentWithHighestBoilingpoint() {
     int compNumb = 0;
-    double boilPoint = -273.15;
+    double boilPoint = 0;
     for (int i = 0; i < system.getPhase(0).getNumberOfComponents(); i++) {
       if (system.getPhase(0).getComponent(i).getNormalBoilingPoint() > boilPoint) {
         compNumb = i;

src/main/java/neqsim/thermo/characterization/PlusCharacterize.java

@@ -432,7 +432,7 @@ public void removeTBPfraction() {
     ArrayList<String> list = new ArrayList<String>();
     for (int i = 0; i < system.getPhase(0).getNumberOfComponents(); i++) {
       double boilpoint = system.getPhase(0).getComponent(i).getNormalBoilingPoint();
-      if (boilpoint >= 69.0) {
+      if (boilpoint >= 273.15 + 69.0) {
         list.add(system.getPhase(0).getComponent(i).getName());
       }
     }

src/main/java/neqsim/thermo/characterization/TBPCharacterize.java

@@ -62,7 +62,7 @@ public boolean groupTBPfractions() {
 
     for (int i = 0; i < system.getPhase(0).getNumberOfComponents(); i++) {
       // if (system.getPhase(0).getComponent(i).getComponentType().equals("HC")) {
-      double boilpoint = system.getPhase(0).getComponent(i).getNormalBoilingPoint();
+      double boilpoint = system.getPhase(0).getComponent(i).getNormalBoilingPoint("C");
 
       if (boilpoint >= 331.0) {
         numb = 13;

src/main/java/neqsim/thermo/characterization/TBPfractionModel.java

@@ -155,7 +155,7 @@ public double calcPC(double molarMass, double density) {
         TBPfractionCoefs = TBPfractionCoefsHeavyOil;
       }
 
-      return 0.01325 + Math.exp(TBPfractionCoefs[1][0]
+      return Math.exp(0.01325 + TBPfractionCoefs[1][0]
           + TBPfractionCoefs[1][1] * Math.pow(density, TBPfractionCoefs[1][4])
           + TBPfractionCoefs[1][2] / molarMass + TBPfractionCoefs[1][3] / Math.pow(molarMass, 2.0));
     }
@@ -173,26 +173,12 @@ public double calcm(double molarMass, double density) {
 
     @Override
     public double calcTB(double molarMass, double density) {
-      if (molarMass < 90) {
-        return 273.15 + 84;
-      }
-      if (molarMass < 107) {
-        return 273.15 + 116.6;
-      }
-      if (molarMass < 121) {
-        return 273.15 + 142.2;
-      }
-      if (molarMass < 134) {
-        return 273.15 + 165.8;
-      }
-      if (molarMass < 147) {
-        return 273.15 + 187.2;
-      }
-      if (molarMass < 161) {
-        return 273.15 + 208.3;
+      if (molarMass < 540) {
+        return 2E-06 * Math.pow(molarMass, 3) - 0.0035 * Math.pow(molarMass, 2) + 2.4003 * molarMass
+            + 171.74;
+      } else {
+        return 97.58 * Math.pow(molarMass, 0.3323) * Math.pow(density, 0.04609);
       }
-
-      return 97.58 * Math.pow(molarMass, 0.3323) * Math.pow(density, 0.04609);
     }
 
     @Override

src/main/java/neqsim/thermo/component/Component.java

@@ -287,18 +287,18 @@ public void createComponent(String name, double moles, double molesInPhase, int
         AntoineC = Double.parseDouble(dataSet.getString("ANTOINEC")); // AX
         AntoineD = Double.parseDouble(dataSet.getString("ANTOINED"));
         AntoineE = Double.parseDouble(dataSet.getString("ANTOINEE"));
-
+        normalBoilingPoint = Double.parseDouble(dataSet.getString("normboil")) + 273.15;
         if (AntoineA == 0) {
           AntoineA = 1.0;
-          AntoineB = getNormalBoilingPoint();
+          AntoineB = getNormalBoilingPoint() - 273.15;
         }
 
         AntoineASolid = Double.parseDouble(dataSet.getString("ANTOINESolidA"));
         AntoineBSolid = Double.parseDouble(dataSet.getString("ANTOINESolidB"));
         AntoineCSolid = Double.parseDouble(dataSet.getString("ANTOINESolidC"));
 
         debyeDipoleMoment = Double.parseDouble(dataSet.getString("dipolemoment"));
-        normalBoilingPoint = Double.parseDouble(dataSet.getString("normboil"));
+
         standardDensity = Double.parseDouble(dataSet.getString("stddens"));
         viscosityCorrectionFactor = Double.parseDouble(dataSet.getString("viscfact")); // BC
         racketZ = Double.parseDouble(dataSet.getString("racketZ")); // BE
@@ -1663,6 +1663,14 @@ public double getNormalBoilingPoint() {
     return normalBoilingPoint;
   }
 
+  /** {@inheritDoc} */
+  @Override
+  public double getNormalBoilingPoint(String unit) {
+    neqsim.util.unit.TemperatureUnit tempConversion =
+        new neqsim.util.unit.TemperatureUnit(getNormalBoilingPoint(), "K");
+    return tempConversion.getValue(unit);
+  }
+
   /** {@inheritDoc} */
   @Override
   public void setNormalBoilingPoint(double normalBoilingPoint) {

src/main/java/neqsim/thermo/component/ComponentInterface.java

@@ -921,16 +921,27 @@ public void Finit(PhaseInterface phase, double temperature, double pressure,
    * Getter for property NormalBoilingPoint.
    * </p>
    *
-   * @return The normal boiling point of the component
+   * @return The normal boiling point of the component with unit Kelvin
    */
   public double getNormalBoilingPoint();
 
+  /**
+   * <p>
+   * Getter for property NormalBoilingPoint.
+   * </p>
+   * 
+   * @param unit Unit of return pressure
+   * 
+   * @return The normal boiling point of the component
+   */
+  public double getNormalBoilingPoint(String unit);
+
   /**
    * <p>
    * setNormalBoilingPoint.
    * </p>
    *
-   * @param normalBoilingPoint a double
+   * @param normalBoilingPoint a double with unit Kelvin
    */
   public void setNormalBoilingPoint(double normalBoilingPoint);
 

src/main/java/neqsim/thermo/phase/Phase.java

@@ -1967,7 +1967,7 @@ public double[] groupTBPfractions() {
     double[] TPBfrac = new double[20];
 
     for (int i = 0; i < getNumberOfComponents(); i++) {
-      double boilpoint = getComponent(i).getNormalBoilingPoint();
+      double boilpoint = getComponent(i).getNormalBoilingPoint("C");
 
       if (boilpoint >= 331.0) {
         TPBfrac[19] += getComponent(i).getx();

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

@@ -944,7 +944,7 @@ public void addTBPfraction(String componentName, double numberOfMoles, double mo
       getPhase(i).getComponent(componentName).setMolarMass(molarMass);
       getPhase(i).getComponent(componentName).setComponentType("TBPfraction");
       getPhase(i).getComponent(componentName).setNormalLiquidDensity(density);
-      getPhase(i).getComponent(componentName).setNormalBoilingPoint(TB - 273.15);
+      getPhase(i).getComponent(componentName).setNormalBoilingPoint(TB);
       getPhase(i).getComponent(componentName)
           .setAcentricFactor(refSystem.getPhase(0).getComponent(0).getAcentricFactor());
       getPhase(i).getComponent(componentName).setCriticalVolume(critVol);
@@ -1086,7 +1086,7 @@ public void addTBPfraction(String componentName, double numberOfMoles, double mo
       getPhase(i).getComponent(componentName).setMolarMass(molarMass);
       getPhase(i).getComponent(componentName).setComponentType("TBPfraction");
       getPhase(i).getComponent(componentName).setNormalLiquidDensity(density);
-      getPhase(i).getComponent(componentName).setNormalBoilingPoint(TB - 273.15);
+      getPhase(i).getComponent(componentName).setNormalBoilingPoint(TB);
       getPhase(i).getComponent(componentName)
           .setAcentricFactor(refSystem.getPhase(0).getComponent(0).getAcentricFactor());
       getPhase(i).getComponent(componentName).setCriticalVolume(critVol);
@@ -2552,7 +2552,7 @@ public double[] getNormalBoilingPointTemperatures() {
     double[] bt = new double[numberOfComponents];
 
     for (int compNumb = 0; compNumb < numberOfComponents; compNumb++) {
-      bt[compNumb] = getPhase(0).getComponent(compNumb).getNormalBoilingPoint() + 273.15;
+      bt[compNumb] = getPhase(0).getComponent(compNumb).getNormalBoilingPoint();
     }
     return bt;
   }

src/test/java/neqsim/PVTsimulation/simulation/ConstantMassExpansionTest.java

@@ -51,8 +51,9 @@ void testRunCalc() {
     assertEquals(2.1873758493453708E-4, CMEsim.getIsoThermalCompressibility()[0], 0.00001);
     assertEquals(0.956122065, CMEsim.getRelativeVolume()[0], 0.001);
     assertEquals(0.994254912, CMEsim.getRelativeVolume()[6], 0.001);
-    assertEquals(1.3486190, CMEsim.getRelativeVolume()[12], 0.001);
-    assertEquals(2.1400177022, CMEsim.getYfactor()[12], 0.001);
+    assertEquals(1.3572659252241415, CMEsim.getRelativeVolume()[12], 0.001);
+    assertEquals(2.153242696868525
+    , CMEsim.getYfactor()[12], 0.001);
 
   }
 }

src/test/java/neqsim/PVTsimulation/simulation/ConstantVolumeDepletionTest.java

@@ -40,7 +40,9 @@ void testRunCalc() {
         new double[] {400, 300.0, 200.0, 100.0});
     double[][] expData = {{0.95, 0.99, 1.0, 1.1}};
     CVDsim.setExperimentalData(expData);
-    assertEquals(2.2458466, CVDsim.getRelativeVolume()[4], 0.001);
+    assertEquals(2.198101313307043
+
+    , CVDsim.getRelativeVolume()[4], 0.001);
   }
 
   @Test

src/test/java/neqsim/PVTsimulation/simulation/DifferentialLiberationTest.java

@@ -40,25 +40,29 @@ void testRunCalc() {
     SimulationInterface satPresSim = new SaturationPressure(tempSystem);
     satPresSim.setTemperature(97.5, "C");
     satPresSim.run();
-    assertEquals(190.7882175445, satPresSim.getThermoSystem().getPressure(), 0.1);
+    assertEquals(193.24093437194824, satPresSim.getThermoSystem().getPressure(), 0.1);
     // tempSystem.prettyPrint();
 
-    double[] pressures = new double[] { 351.4, 323.2, 301.5, 275.9, 250.1, 226.1, 205.9, 179.1,
-        154.6, 132.1, 109.0, 78.6, 53.6, 22.0, 1.0 };
+    double[] pressures = new double[] {351.4, 323.2, 301.5, 275.9, 250.1, 226.1, 205.9, 179.1,
+        154.6, 132.1, 109.0, 78.6, 53.6, 22.0, 1.0};
     DifferentialLiberation differentialLiberation = new DifferentialLiberation(tempSystem);
     differentialLiberation.setPressures(pressures);
     differentialLiberation.setTemperature(97.5, "C");
     differentialLiberation.runCalc();
 
     assertEquals(1.689644811955, differentialLiberation.getBo()[0], 0.001);
-    assertEquals(212.366545704, differentialLiberation.getRs()[0], 0.001);
-    assertEquals(677.27184, differentialLiberation.getOilDensity()[0], 0.001);
+    assertEquals(212.71942595049242
+    , differentialLiberation.getRs()[0], 0.001);
+    assertEquals(677.5970918499921
+    , differentialLiberation.getOilDensity()[0], 0.001);
     assertEquals(1.7616805, differentialLiberation.getBo()[pressures.length - 9], 0.001);
-    assertEquals(1.312174206633, differentialLiberation.getBo()[pressures.length - 2], 0.001);
-    assertEquals(55.1339349, differentialLiberation.getRs()[pressures.length - 2], 0.001);
+    assertEquals(1.3111545517, differentialLiberation.getBo()[pressures.length - 2], 0.001);
+    assertEquals(55.10252632079461
+    , differentialLiberation.getRs()[pressures.length - 2], 0.001);
     assertEquals(0.0556167850, differentialLiberation.getBg()[pressures.length - 2], 0.001);
     assertEquals(1.0533007759, differentialLiberation.getBo()[pressures.length - 1], 0.001);
     assertEquals(0.0, differentialLiberation.getRs()[pressures.length - 1], 0.001);
-    assertEquals(805.00070, differentialLiberation.getOilDensity()[pressures.length - 1], 0.001);
+    assertEquals(805.6468027140055
+    , differentialLiberation.getOilDensity()[pressures.length - 1], 0.001);
   }
 }

src/test/java/neqsim/PVTsimulation/simulation/SaturationTemperatureTest.java

@@ -49,7 +49,7 @@ void testCalcSaturationTemperature() {
 
     SimulationInterface satPresSim = new SaturationTemperature(tempSystem);
     satPresSim.run();
-    assertEquals(tempSystem.getTemperature(), 380.3071922, 0.1);
+    assertEquals(tempSystem.getTemperature(), 380.127567672, 0.1);
   }
 
   /**

src/test/java/neqsim/PVTsimulation/simulation/SeparatorTestTest.java

@@ -45,6 +45,6 @@ void testRunCalc() {
     sepSim.setSeparatorConditions(temps, pres);
     sepSim.runCalc();
 
-    assertEquals(1.1245991497229437, sepSim.getBofactor()[4], 0.0001);
+    assertEquals(1.1224612120760051, sepSim.getBofactor()[4], 0.0001);
   }
 }

src/test/java/neqsim/PVTsimulation/simulation/SlimTubeSimTest.java

@@ -30,7 +30,7 @@ void testRun() {
     oilSystem.addTBPfraction("C17", 0.17, 234.0 / 1000.0, 0.84);
     oilSystem.addTBPfraction("C18", 0.13, 251.0 / 1000.0, 0.844);
     oilSystem.addTBPfraction("C19", 0.13, 270.0 / 1000.0, 0.854);
-    oilSystem.addPlusFraction("C20", 10.62, 381.0 / 1000.0, 0.88);
+    oilSystem.addPlusFraction("C20", 20.62, 381.0 / 1000.0, 0.88);
     oilSystem.getCharacterization().characterisePlusFraction();
     oilSystem.setMixingRule(2);
 

src/test/java/neqsim/PVTsimulation/simulation/ViscositySimTest.java

@@ -24,6 +24,6 @@ void testRunCalc() {
     sepSim.setExperimentalData(expData);
     // sepSim.runTuning();
     sepSim.runCalc();
-    assertEquals(4.420762033045493E-4, sepSim.getOilViscosity()[0], 0.000001);
+    assertEquals(4.443002015621749E-4, sepSim.getOilViscosity()[0], 0.000001);
   }
 }

src/test/java/neqsim/PVTsimulation/simulation/WaxFractionSimTest.java

@@ -26,7 +26,8 @@ void testRunCalc() {
     double[] pres = {5, 5, 5.0, 5.0, 5.0, 5.0, 5.0};
     sepSim.setTemperaturesAndPressures(temps, pres);
     sepSim.runCalc();
-    assertEquals(0.2661032806907, sepSim.getThermoSystem().getPhaseFraction("wax", "mass"), 0.001);
+    assertEquals(0.2683853533110433, sepSim.getThermoSystem().getPhaseFraction("wax", "mass"),
+        0.001);
   }
 
   @Test
@@ -50,6 +51,7 @@ void testRunCalc2() {
     sepSim.setTemperaturesAndPressures(temps, pres);
     sepSim.runCalc();
     NeqSimDataBase.setCreateTemporaryTables(false);
-    assertEquals(0.24679416544, sepSim.getThermoSystem().getPhaseFraction("wax", "mass"), 0.001);
+    assertEquals(0.24895564649970403, sepSim.getThermoSystem().getPhaseFraction("wax", "mass"),
+        0.001);
   }
 }

src/test/java/neqsim/processSimulation/processEquipment/reservoir/SimpleReservoirTest.java

@@ -58,7 +58,8 @@ void testRun2() {
     for (int i = 0; i < 10; i++) {
       reservoirOps.runTransient(deltaTime);
     }
-    Assertions.assertEquals(352.274030, reservoirOps.getReservoirFluid().getPressure("bara"), 0.1);
+    Assertions.assertEquals(355.19330033985693
+    , reservoirOps.getReservoirFluid().getPressure("bara"), 0.1);
     Assertions.assertEquals(11.698, reservoirOps.getWaterProdution("Sm3/day"), 0.1);
 
     reservoirOps.setLowPressureLimit(52.0e5, "Pa");

src/test/java/neqsim/processSimulation/processSystem/CombinedOilGasFieldTest.java

@@ -80,10 +80,11 @@ public void testreservoirTPsim() {
     operations.add(reservoirGasTPsim);
     operations.add(MPFMgas);
     operations.run();
-    assertEquals(8760.096083, MPFMgas.getMeasuredValue("GOR_std", ""), 1.0);
+    assertEquals(8834.875493073961, MPFMgas.getMeasuredValue("GOR_std", ""), 1.0);
 
     reservoirGasTPsim.setPressure(150.0, "bara");
     operations.run();
-    assertEquals(14880.1810, MPFMgas.getMeasuredValue("GOR_std", ""), 1.0);
+    assertEquals(14937.606339690177
+    , MPFMgas.getMeasuredValue("GOR_std", ""), 1.0);
   }
 }

src/test/java/neqsim/processSimulation/processSystem/CompressorModule.java

@@ -134,7 +134,8 @@ public void testProcess() {
 
     operations.run();
 
-    assertEquals(2053.120373716, resycleScrubberStream.getFlowRate("kg/hr"), 0.1);
+    assertEquals(2046.8012652616517
+    , resycleScrubberStream.getFlowRate("kg/hr"), 0.1);
 
     neqsim.processSimulation.processEquipment.compressor.CompressorChartGenerator compchartgenerator =
         new neqsim.processSimulation.processEquipment.compressor.CompressorChartGenerator(

src/test/java/neqsim/processSimulation/processSystem/OilGasProcessTest.java

@@ -117,7 +117,7 @@ public void runProcess() throws InterruptedException {
 
     operations.run();
 
-    assertEquals(17195.25050, seprator3rdStage.getGasOutStream().getFlowRate("kg/hr"), 1.1);
+    assertEquals(17105.52983567356, seprator3rdStage.getGasOutStream().getFlowRate("kg/hr"), 1.1);
 
     assertEquals(seprator3rdStage.getGasOutStream().getFlowRate("kg/hr"),
         coolerLP.getOutletStream().getFlowRate("kg/hr"), 1e-4);

src/test/java/neqsim/standards/oilQuality/Standard_ASTM_D6377Test.java

@@ -39,13 +39,14 @@ void testCalculate2() {
     standard.setMethodRVP("VPCR4");
     standard.setReferenceTemperature(37.8, "C");
     standard.calculate();
-    Assertions.assertEquals(3.604002003478, standard.getValue("RVP", "bara"), 1e-3);
-    Assertions.assertEquals(7.8448385024, standard.getValue("TVP", "bara"), 1e-3);
+    Assertions.assertEquals(3.6145219653041623, standard.getValue("RVP", "bara"), 1e-3);
+    Assertions.assertEquals(7.867696779327479, standard.getValue("TVP", "bara"), 1e-3);
 
     standard.setMethodRVP("RVP_ASTM_D6377");
     standard.setReferenceTemperature(37.8, "C");
     standard.calculate();
-    Assertions.assertEquals(3.00573767, standard.getValue("RVP", "bara"), 1e-3);
-    Assertions.assertEquals(7.8448385024, standard.getValue("TVP", "bara"), 1e-3);
+    Assertions.assertEquals(3.014511319063671, standard.getValue("RVP", "bara"), 1e-3);
+    Assertions.assertEquals(7.867696779327479
+    , standard.getValue("TVP", "bara"), 1e-3);
   }
 }

src/test/java/neqsim/thermo/characterization/TBPfractionModelTest.java

@@ -34,10 +34,12 @@ void testPedersenSRKModel() {
     SystemInterface thermoSystem = new SystemSrkEos(298.0, 10.0);
     thermoSystem.getCharacterization().setTBPModel("PedersenSRK");
     thermoSystem.addTBPfraction("C7", 1.0, 110.0 / 1000.0, 0.73);
-    assertEquals(554.3185637098962, thermoSystem.getComponent(0).getTC(), 1e-3);
-    assertEquals(26.007549082822628, thermoSystem.getComponent(0).getPC(), 1e-3);
+    assertEquals(281.1685637, thermoSystem.getComponent(0).getTC() - 273.15, 1e-3);
+    assertEquals(26.341015469211726
+    , thermoSystem.getComponent(0).getPC(), 1e-3);
     assertEquals(0.508241, thermoSystem.getComponent(0).getAcentricFactor(), 1e-3);
-    assertEquals(384.6714299777243, thermoSystem.getComponent(0).getCriticalVolume(), 1e-3);
+    assertEquals(426.46717439, thermoSystem.getComponent(0).getCriticalVolume(), 1e-3);
+    assertEquals(122.93500, thermoSystem.getComponent(0).getNormalBoilingPoint("C"), 1e-3);
   }
 
   @Test
@@ -46,10 +48,9 @@ void testPedersenPRModel() {
     thermoSystem.getCharacterization().setTBPModel("PedersenPR");
     thermoSystem.addTBPfraction("C7", 1.0, 110.0 / 1000.0, 0.73);
     assertEquals(560.546, thermoSystem.getComponent(0).getTC(), 1e-3);
-    assertEquals(25.838137535018557, thermoSystem.getComponent(0).getPC(), 1e-3);
+    assertEquals(26.16934428134274, thermoSystem.getComponent(0).getPC(), 1e-3);
     assertEquals(0.3838836222383, thermoSystem.getComponent(0).getAcentricFactor(), 1e-3);
-    assertEquals(405.0890245138075, thermoSystem.getComponent(0).getCriticalVolume(), 1e-3);
+    assertEquals(444.07282144, thermoSystem.getComponent(0).getCriticalVolume(), 1e-3);
+    assertEquals(122.93500, thermoSystem.getComponent(0).getNormalBoilingPoint("C"), 1e-3);
   }
-
-
 }

src/test/java/neqsim/thermo/system/SystemThermoTest.java

@@ -43,7 +43,7 @@ public void testCp() {
     ThermodynamicOperations testOps = new ThermodynamicOperations(testSystem);
     testOps.TPflash();
     testSystem.initProperties();
-    assertEquals(2.0188664689245, testSystem.getPhase(1).getCp("kJ/kgK"), 1e-6);
+    assertEquals(2.00406932521, testSystem.getPhase(1).getCp("kJ/kgK"), 1e-6);
   }
 
   /**

src/test/java/neqsim/thermodynamicOperations/flashOps/TPFlashTest.java

@@ -135,7 +135,8 @@ void testRun6() {
     testOps = new ThermodynamicOperations(testSystem5);
     testOps.TPflash();
     testSystem5.initProperties();
-    assertEquals(0.27697023508525664, testSystem5.getBeta(), 1e-6);
+    assertEquals(0.2838675588923609
+    , testSystem5.getBeta(), 1e-6);
     assertEquals(3, testSystem5.getNumberOfPhases());
   }