update gradient flash

equinor · Nov 15, 2024 · 23d5e2a · 23d5e2a
1 parent bcfed40
commit 23d5e2a
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Showing 2 changed files with 75 additions and 8 deletions.
diff --git a/src/main/java/neqsim/thermodynamicoperations/flashops/TPgradientFlash.java b/src/main/java/neqsim/thermodynamicoperations/flashops/TPgradientFlash.java
@@ -52,9 +52,9 @@ public TPgradientFlash(SystemInterface system, double height, double temperature
     this.system = system;
     this.temperature = temperature;
     this.height = height;
-    Jac = new Matrix(system.getPhase(0).getNumberOfComponents(),
-        system.getPhase(0).getNumberOfComponents());
-    fvec = new Matrix(system.getPhase(0).getNumberOfComponents(), 1);
+    Jac = new Matrix(system.getPhase(0).getNumberOfComponents() + 1,
+        system.getPhase(0).getNumberOfComponents() + 1);
+    fvec = new Matrix(system.getPhase(0).getNumberOfComponents() + 1, 1);
   }
 
   /**
@@ -63,7 +63,9 @@ public TPgradientFlash(SystemInterface system, double height, double temperature
    * </p>
    */
   public void setfvec() {
+    double sumx = 0.0;
     for (int i = 0; i < system.getPhase(0).getNumberOfComponents(); i++) {
+      sumx += localSystem.getPhases()[0].getComponents()[i].getx();
       fvec.set(i, 0,
           Math.log(localSystem.getPhases()[0].getComponents()[i].getFugacityCoefficient()
               * localSystem.getPhases()[0].getComponents()[i].getx() * localSystem.getPressure())
@@ -85,6 +87,7 @@ public void setfvec() {
                   / neqsim.thermo.ThermodynamicConstantsInterface.R
                   / tempSystem.getPhase(0).getTemperature());
     }
+    fvec.set(localSystem.getNumberOfComponents(), 0, sumx - 1.0);
   }
 
   /**
@@ -112,8 +115,27 @@ public void setJac() {
         Jac.set(i, j, tempJ);
       }
     }
+
+    int i = system.getPhase(0).getNumberOfComponents();
+    for (int j = 0; j < system.getPhase(0).getNumberOfComponents(); j++) {
+      Jac.set(i, j, 1.0);
+    }
+
+    for (i = 0; i < system.getPhase(0).getNumberOfComponents(); i++) {
+      tempJ = 1.0
+          / (localSystem.getPhases()[0].getComponents()[i].getFugacityCoefficient()
+              * localSystem.getPhases()[0].getComponents()[i].getx() * localSystem.getPressure())
+          * (localSystem.getPhases()[0].getComponents()[i].getdfugdp()
+              * localSystem.getPhases()[0].getComponents()[i].getx() * localSystem.getPressure()
+              + localSystem.getPhases()[0].getComponents()[i].getFugacityCoefficient()
+                  * localSystem.getPhases()[0].getComponents()[i].getx());
+      Jac.set(i, system.getPhase(0).getNumberOfComponents(), tempJ);
+    }
+    Jac.set(system.getPhase(0).getNumberOfComponents(), system.getPhase(0).getNumberOfComponents(),
+        0.0);
   }
 
+
   /**
    * <p>
    * setNewX.
@@ -122,9 +144,11 @@ public void setJac() {
   public void setNewX() {
     for (int i = 0; i < system.getPhase(0).getNumberOfComponents(); i++) {
       localSystem.getPhase(0).getComponent(i)
-          .setx(localSystem.getPhase(0).getComponent(i).getx() - 0.5 * dx.get(i, 0));
+          .setx(localSystem.getPhase(0).getComponent(i).getx() - 0.8 * dx.get(i, 0));
     }
-    localSystem.getPhase(0).normalize();
+    localSystem.setPressure(
+        localSystem.getPressure() - 0.8 * dx.get(system.getPhase(0).getNumberOfComponents(), 0));
+    // localSystem.getPhase(0).normalize();
   }
 
   /** {@inheritDoc} */
@@ -142,14 +166,16 @@ public void run() {
 
     for (int i = 0; i < 20; i++) {
       localSystem.setTemperature(localSystem.getTemperature() + deltaT);
-      for (int o = 0; o < 15; o++) {
+      int iter = 0;
+      do {
+        iter += 1;
         localSystem.init(3);
         setfvec();
         setJac();
         dx = Jac.solve(fvec);
-        dx.print(10, 10);
+        // dx.print(10, 10);
         setNewX();
-      }
+      } while (dx.norm2() > 1e-10 && iter < 50);
       // localSystem.display();
 
       tempSystem = localSystem.clone();

diff --git a/src/test/java/neqsim/thermodynamicoperations/flashops/TPgradientFlashTest.java b/src/test/java/neqsim/thermodynamicoperations/flashops/TPgradientFlashTest.java
@@ -0,0 +1,41 @@
+package neqsim.thermodynamicoperations.flashops;
+
+import static org.junit.jupiter.api.Assertions.assertEquals;
+import org.apache.logging.log4j.LogManager;
+import org.apache.logging.log4j.Logger;
+import org.junit.jupiter.api.Test;
+import neqsim.thermo.system.SystemInterface;
+import neqsim.thermo.system.SystemSrkEos;
+import neqsim.thermodynamicoperations.ThermodynamicOperations;
+
+public class TPgradientFlashTest {
+  static Logger logger = LogManager.getLogger(TPgradientFlashTest.class);
+
+  @Test
+  void testRun() {
+    SystemInterface testSystem = new SystemSrkEos(345, 80.0);
+
+    ThermodynamicOperations testOps = new ThermodynamicOperations(testSystem);
+    testSystem.addComponent("hydrogen", 1.0);
+    testSystem.addComponent("methane", 8.0);
+    testSystem.addComponent("propane", 1.0);
+
+    testSystem.createDatabase(true);
+    testSystem.setMixingRule(2);
+
+    SystemInterface newSystem = null;
+    try {
+      try {
+        newSystem = testOps.TPgradientFlash(1000, 355).phaseToSystem(0);
+      } catch (Exception e) {
+        e.printStackTrace();
+      }
+      // newSystem.prettyPrint();
+    } catch (Exception ex) {
+      logger.error(ex.getMessage(), ex);
+    }
+
+    assertEquals(0.0987274603, newSystem.getComponent("hydrogen").getx(), 1e-2);
+  }
+
+}