update (#1176)

* update * updated test * update * update * update * update
equinor · Nov 12, 2024 · 2c26392 · 2c26392
1 parent c7d52cb
commit 2c26392
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diff --git a/src/main/java/neqsim/mathlib/nonlinearsolver/NewtonRhapson.java b/src/main/java/neqsim/mathlib/nonlinearsolver/NewtonRhapson.java
@@ -153,8 +153,8 @@ public double solve(double xin) {
         xNew2 = xNew;
       }
 
-      if (xNew < 0) {
-        xNew = 0;
+      if (xNew < -0.99) {
+        xNew = -0.99;
         // System.out.println("x++...........");
       }
       if (xNew > 1.5) {

diff --git a/src/main/java/neqsim/thermo/component/attractiveeosterm/AttractiveTermBaseClass.java b/src/main/java/neqsim/thermo/component/attractiveeosterm/AttractiveTermBaseClass.java
@@ -52,6 +52,12 @@ public void setm(double val) {
     logger.info("does not solve for accentric when new m is set... in AccentricBase class");
   }
 
+  /** {@inheritDoc} */
+  @Override
+  public double getm() {
+    return this.m;
+  }
+
   /** {@inheritDoc} */
   @Override
   public AttractiveTermBaseClass clone() {

diff --git a/src/main/java/neqsim/thermo/component/attractiveeosterm/AttractiveTermInterface.java b/src/main/java/neqsim/thermo/component/attractiveeosterm/AttractiveTermInterface.java
@@ -119,4 +119,6 @@ public interface AttractiveTermInterface extends Cloneable, java.io.Serializable
    * @return a {@link neqsim.thermo.component.attractiveeosterm.AttractiveTermInterface} object
    */
   public AttractiveTermInterface clone();
+
+  public double getm();
 }
diff --git a/src/main/java/neqsim/thermo/component/attractiveeosterm/AttractiveTermSrk.java b/src/main/java/neqsim/thermo/component/attractiveeosterm/AttractiveTermSrk.java
@@ -54,8 +54,8 @@ public void setm(double val) {
     solve.setOrder(2);
     double[] acentricConstants = {-0.176, 1.574, (0.48 - this.m)};
     solve.setConstants(acentricConstants);
-    getComponent().setAcentricFactor(solve.solve(0.2));
-    // System.out.println("solve accen " + component.getAcentricFactor());
+    getComponent().setAcentricFactor(solve.solve(0.25));
+    System.out.println("solve accen " + getComponent().getAcentricFactor());
   }
 
   /** {@inheritDoc} */

diff --git a/src/main/resources/data/COMP.csv b/src/main/resources/data/COMP.csv
diff --git a/src/test/java/neqsim/thermo/characterization/PlusFractionModelTest.java b/src/test/java/neqsim/thermo/characterization/PlusFractionModelTest.java
@@ -100,7 +100,7 @@ void testPedersenHeavyOilPlusModelCharacterization() {
     ThermodynamicOperations ops = new ThermodynamicOperations(thermoSystem);
     ops.TPflash();
     // thermoSystem.prettyPrint();
-    assertEquals(0.767272255056255, thermoSystem.getBeta(), 1e-4);
+    assertEquals(0.779829948507504, thermoSystem.getBeta(), 1e-4);
   }
 
   @Test

diff --git a/src/test/java/neqsim/thermo/system/AcidTest.java b/src/test/java/neqsim/thermo/system/AcidTest.java
@@ -0,0 +1,217 @@
+package neqsim.thermo.system;
+
+import static org.junit.jupiter.api.Assertions.assertEquals;
+import org.junit.jupiter.api.DisplayName;
+import org.junit.jupiter.api.Test;
+import neqsim.thermo.component.ComponentSrkCPA;
+import neqsim.thermo.phase.PhaseType;
+import neqsim.thermodynamicoperations.ThermodynamicOperations;
+
+public class AcidTest extends neqsim.NeqSimTest {
+
+  /**
+   * <p>
+   * testAcid.
+   * </p>
+   */
+  @Test
+  @DisplayName("test equilibrium of formic acid")
+  public void testAcid() {
+    neqsim.thermo.system.SystemSrkCPAstatoil testSystem =
+        new neqsim.thermo.system.SystemSrkCPAstatoil(298.0, 10.0);
+    testSystem.addComponent("methane", 1.0, "kg/sec");
+    testSystem.addComponent("formic acid", 25.0, "kg/sec");
+    testSystem.addComponent("water", 100.0, "kg/sec");
+    testSystem.setMixingRule(10);
+    ThermodynamicOperations testOps = new ThermodynamicOperations(testSystem);
+    testOps.TPflash();
+    testSystem.prettyPrint();
+  }
+
+  /**
+   * <p>
+   * testtestBubpAcid.
+   * </p>
+   */
+  @Test
+  @DisplayName("test bublepoint of formic acid")
+  public void testtestBubpAcid() {
+    neqsim.thermo.system.SystemSrkCPAstatoil testSystem =
+        new neqsim.thermo.system.SystemSrkCPAstatoil(373.0, 1.3501325);
+    testSystem.addComponent("formic acid", 25.0, "kg/sec");
+    testSystem.setMixingRule(10);
+    ThermodynamicOperations testOps = new ThermodynamicOperations(testSystem);
+    try {
+      testOps.bubblePointPressureFlash(false);
+      testSystem.initProperties();
+    } catch (Exception e) {
+      e.printStackTrace();
+    }
+
+    assertEquals(33.2215005, testSystem.getPressure(), 0.001);
+    assertEquals(928.60315, testSystem.getDensity("kg/m3"), 0.001);
+
+
+    double t = 373.0;
+    double vapp =
+        Math.exp(50.323 + -5378.2 / t + -4.2030 * Math.log(t) + 3.4697e-6 * Math.pow(t, 2)) / 1e5;
+
+    assertEquals(0.9857520491, vapp, 0.001);
+
+    double dens = 1.938 / (0.24225 * (1 + Math.pow(1 - t / 588, 0.24435)));// * 46.025;
+
+    // assertEquals(1002.54762, dens, 0.001);
+
+    String scheme =
+        testSystem.getPhase(PhaseType.AQUEOUS).getComponent("formic acid").getAssociationScheme();
+    double aCPA =
+        ((ComponentSrkCPA) testSystem.getPhase(PhaseType.AQUEOUS).getComponent("formic acid"))
+            .geta();
+    double bCPA =
+        ((ComponentSrkCPA) testSystem.getPhase(PhaseType.AQUEOUS).getComponent("formic acid"))
+            .getb();
+    double boundvol =
+        ((ComponentSrkCPA) testSystem.getPhase(PhaseType.AQUEOUS).getComponent("formic acid"))
+            .getAssociationVolume();
+    double assenergy =
+        ((ComponentSrkCPA) testSystem.getPhase(PhaseType.AQUEOUS).getComponent("formic acid"))
+            .getAssociationEnergy();
+    double m =
+        ((ComponentSrkCPA) testSystem.getPhase(PhaseType.AQUEOUS).getComponent("formic acid"))
+            .getAttractiveTerm().getm();
+    assertEquals("1A", scheme);
+    assertEquals(53663.0, aCPA);
+    assertEquals(3.0, bCPA);
+    assertEquals(0.0155, boundvol);
+    assertEquals(41917.0, assenergy);
+    assertEquals(0.3338, m);
+    testSystem.prettyPrint();
+  }
+
+
+  /**
+   * <p>
+   * testtestBubpAcid.
+   * </p>
+   */
+  @Test
+  @DisplayName("test bublepoint of acetic acid")
+  public void testtestBubpAceticAcid() {
+    neqsim.thermo.system.SystemSrkCPAstatoil testSystem =
+        new neqsim.thermo.system.SystemSrkCPAstatoil(273.15 + 117.9, 1.01325);
+    testSystem.addComponent("AceticAcid", 25.0, "kg/sec");
+    testSystem.setMixingRule(10);
+    ThermodynamicOperations testOps = new ThermodynamicOperations(testSystem);
+    try {
+      testOps.bubblePointPressureFlash();
+      testSystem.initProperties();
+    } catch (Exception e) {
+      e.printStackTrace();
+    }
+
+    assertEquals(0.999088711628, testSystem.getPressure(), 0.001);
+    assertEquals(817.50556, testSystem.getDensity("kg/m3"), 0.001);
+
+
+    double t = 373.0;
+    double vapp =
+        Math.exp(50.323 + -5378.2 / t + -4.2030 * Math.log(t) + 3.4697e-6 * Math.pow(t, 2)) / 1e5;
+
+    assertEquals(0.9857520491, vapp, 0.001);
+
+    double dens = 1.938 / (0.24225 * (1 + Math.pow(1 - t / 588, 0.24435)));// * 46.025;
+
+    // assertEquals(1002.54762, dens, 0.001);
+
+    String scheme = testSystem.getPhase(PhaseType.AQUEOUS).getComponent(0).getAssociationScheme();
+    double aCPA = ((ComponentSrkCPA) testSystem.getPhase(PhaseType.AQUEOUS).getComponent(0)).geta();
+    double bCPA = ((ComponentSrkCPA) testSystem.getPhase(PhaseType.AQUEOUS).getComponent(0)).getb();
+    double boundvol = ((ComponentSrkCPA) testSystem.getPhase(PhaseType.AQUEOUS).getComponent(0))
+        .getAssociationVolume();
+    double assenergy = ((ComponentSrkCPA) testSystem.getPhase(PhaseType.AQUEOUS).getComponent(0))
+        .getAssociationEnergy();
+    double m = ((ComponentSrkCPA) testSystem.getPhase(PhaseType.AQUEOUS).getComponent(0))
+        .getAttractiveTerm().getm();
+    assertEquals("1A", scheme);
+    assertEquals(91195.7, aCPA);
+    assertEquals(4.6818, bCPA);
+    assertEquals(0.00452, boundvol);
+    assertEquals(40323.0, assenergy);
+    assertEquals(0.4644000000000, m, 0.0001);
+    testSystem.prettyPrint();
+  }
+
+  /**
+   * <p>
+   * testtestBubpAcid.
+   * </p>
+   */
+  @Test
+  @DisplayName("test bublepoint of water")
+  public void testtestWater() {
+    neqsim.thermo.system.SystemSrkCPAstatoil testSystem =
+        new neqsim.thermo.system.SystemSrkCPAstatoil(398.0, 1.01325);
+    testSystem.addComponent("water", 25.0, "kg/sec");
+    testSystem.setMixingRule(10);
+    ThermodynamicOperations testOps = new ThermodynamicOperations(testSystem);
+    try {
+      testOps.bubblePointTemperatureFlash();
+    } catch (Exception e) {
+      e.printStackTrace();
+    }
+
+    String scheme = testSystem.getPhase(PhaseType.AQUEOUS).getComponent(0).getAssociationScheme();
+    double aCPA = ((ComponentSrkCPA) testSystem.getPhase(PhaseType.AQUEOUS).getComponent(0)).geta();
+    double bCPA = ((ComponentSrkCPA) testSystem.getPhase(PhaseType.AQUEOUS).getComponent(0)).getb();
+    double boundvol = ((ComponentSrkCPA) testSystem.getPhase(PhaseType.AQUEOUS).getComponent(0))
+        .getAssociationVolume();
+    double assenergy = ((ComponentSrkCPA) testSystem.getPhase(PhaseType.AQUEOUS).getComponent(0))
+        .getAssociationEnergy();
+    double m = ((ComponentSrkCPA) testSystem.getPhase(PhaseType.AQUEOUS).getComponent(0))
+        .getAttractiveTerm().getm();
+    assertEquals("4C", scheme);
+    assertEquals(12277.0, aCPA);
+    assertEquals(1.4515, bCPA);
+    assertEquals(0.0692, boundvol);
+    assertEquals(16655.0, assenergy);
+    assertEquals(.6735900000000007, m, 0.00001);
+    testSystem.prettyPrint();
+  }
+
+  /**
+   * <p>
+   * testtestBubpAcid.
+   * </p>
+   */
+  @Test
+  @DisplayName("test bublepoint of MEG")
+  public void testtestMEG() {
+    neqsim.thermo.system.SystemSrkCPAstatoil testSystem =
+        new neqsim.thermo.system.SystemSrkCPAstatoil(398.0, 1.01325);
+    testSystem.addComponent("MEG", 25.0, "kg/sec");
+    testSystem.setMixingRule(10);
+    ThermodynamicOperations testOps = new ThermodynamicOperations(testSystem);
+    try {
+      testOps.bubblePointTemperatureFlash();
+    } catch (Exception e) {
+      e.printStackTrace();
+    }
+
+    String scheme = testSystem.getPhase(PhaseType.AQUEOUS).getComponent(0).getAssociationScheme();
+    double aCPA = ((ComponentSrkCPA) testSystem.getPhase(PhaseType.AQUEOUS).getComponent(0)).geta();
+    double bCPA = ((ComponentSrkCPA) testSystem.getPhase(PhaseType.AQUEOUS).getComponent(0)).getb();
+    double boundvol = ((ComponentSrkCPA) testSystem.getPhase(PhaseType.AQUEOUS).getComponent(0))
+        .getAssociationVolume();
+    double assenergy = ((ComponentSrkCPA) testSystem.getPhase(PhaseType.AQUEOUS).getComponent(0))
+        .getAssociationEnergy();
+    double m = ((ComponentSrkCPA) testSystem.getPhase(PhaseType.AQUEOUS).getComponent(0))
+        .getAttractiveTerm().getm();
+    assertEquals("4C", scheme);
+    assertEquals(108190.0, aCPA);
+    assertEquals(5.14, bCPA);
+    assertEquals(0.0141, boundvol);
+    assertEquals(19752.0, assenergy);
+    assertEquals(0.6743999999999983, m);
+    testSystem.prettyPrint();
+  }
+}