improve TPflash speed (#860)

* bug fix * update flash * imporve flash
equinor · Nov 25, 2023 · 3910d39 · 3910d39
1 parent b5c7f95
commit 3910d39
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Showing 3 changed files with 61 additions and 6 deletions.
diff --git a/src/main/java/neqsim/thermodynamicOperations/ThermodynamicOperations.java b/src/main/java/neqsim/thermodynamicOperations/ThermodynamicOperations.java
@@ -3,14 +3,11 @@
 import java.awt.BorderLayout;
 import java.awt.Container;
 import java.util.List;
-
 import javax.swing.JFrame;
 import javax.swing.JScrollPane;
 import javax.swing.JTable;
-
 import org.apache.logging.log4j.LogManager;
 import org.apache.logging.log4j.Logger;
-
 import neqsim.api.ioc.CalculationResult;
 import neqsim.thermo.component.ComponentHydrate;
 import neqsim.thermo.system.SystemInterface;
@@ -164,7 +161,7 @@ public void TPflash() {
       } else {
         system.setTotalNumberOfMoles(flowRate);
       }
-      system.init(2);
+      system.init(1);
     }
   }
 

diff --git a/src/main/java/neqsim/thermodynamicOperations/flashOps/TPmultiflash.java b/src/main/java/neqsim/thermodynamicOperations/flashOps/TPmultiflash.java
@@ -377,7 +377,7 @@ public void stabilityAnalysis() {
         err = 0;
 
         if (iter <= 150 || !system.isImplementedCompositionDeriativesofFugacity()) {
-          if (iter % 7 == 0 && iter < 150 && useaccsubst) {
+          if (iter % 7 == 0 && useaccsubst) {
             double vec1 = 0.0;
 
             double vec2 = 0.0;
@@ -420,6 +420,7 @@ public void stabilityAnalysis() {
               deltalogWi[i] = logWi[i] - oldlogw[i];
               err += Math.abs(logWi[i] - oldlogw[i]);
               Wi[j][i] = Math.exp(logWi[i]);
+              useaccsubst = true;
             }
             if (iter > 2 && err > errOld) {
               useaccsubst = false;
@@ -840,6 +841,11 @@ public void stabilityAnalysis2() {
           }
         }
       } while ((Math.abs(err) > 1e-9 || err > errOld) && iter < 200);
+      if (iter > 198) {
+        System.out.println("too many iterations....." + err + " temperature "
+            + system.getTemperature("C") + " C " + system.getPressure("bara") + " bara");
+        new Exception("to many iterations ");
+      }
       // logger.info("err: " + err + " ITER " + iter);
       double xTrivialCheck0 = 0.0;
       double xTrivialCheck1 = 0.0;
@@ -927,6 +933,7 @@ public void run() {
       double oldDiff = 1.0e10;
       double chemdev = 0;
       int iterOut = 0;
+      double maxerr = 1e-12;
       do {
         iterOut++;
         if (system.isChemicalSystem()) {
@@ -968,11 +975,16 @@ public void run() {
           // diff = Math.abs((system.getBeta(system.getNumberOfPhases() - 1) - oldBeta) /
           // oldBeta);
           // logger.info("diff multiphase " + diff);
-        } while (diff > 1e-12 && !removePhase && (diff < oldDiff || iterations < 50)
+          if (iterations % 50 == 0) {
+            maxerr *= 100.0;
+          }
+        } while (diff > maxerr && !removePhase && (diff < oldDiff || iterations < 50)
             && iterations < 200);
         // this.solveBeta(true);
         if (iterations >= 199) {
           logger.error("error in multiphase flash..did not solve in 200 iterations");
+          logger.error("diff " + diff + " temperaure " + system.getTemperature("C") + " pressure "
+              + system.getPressure("bara"));
           diff = this.solveBeta();
         }
       } while ((Math.abs(chemdev) > 1e-10 && iterOut < 100)

diff --git a/src/test/java/neqsim/thermodynamicOperations/flashOps/TPFlashTest.java b/src/test/java/neqsim/thermodynamicOperations/flashOps/TPFlashTest.java
@@ -1,6 +1,7 @@
 package neqsim.thermodynamicOperations.flashOps;
 
 import static org.junit.jupiter.api.Assertions.assertEquals;
+import static org.junit.jupiter.api.Assertions.assertTrue;
 import org.junit.jupiter.api.BeforeEach;
 import org.junit.jupiter.api.Test;
 import neqsim.thermodynamicOperations.ThermodynamicOperations;
@@ -139,4 +140,49 @@ void testRun6() {
     assertEquals(0.27697023508525664, testSystem5.getBeta(), 1e-6);
     assertEquals(3, testSystem5.getNumberOfPhases());
   }
+
+  @Test
+  void testTPflash1() {
+    testSystem = new neqsim.thermo.system.SystemSrkEos(273.15 + 177.0, 316.0);
+    testSystem.addComponent("water", 65.93229747922976);
+    testSystem.addComponent("NaCl", 0.784426208131475);
+    testSystem.addComponent("nitrogen", 0.578509157534656);
+    testSystem.addComponent("methane", 22.584113183429718);
+    testSystem.addComponent("ethane", 3.43870686718215);
+    testSystem.addComponent("propane", 0.26487350163523365);
+    testSystem.addComponent("i-butane", 0.04039429848533373);
+    testSystem.addComponent("n-butane", 0.1543856425679738);
+    testSystem.addComponent("i-pentane", 0.04039429848533373);
+    testSystem.addComponent("n-pentane", 0.1543856425679738);
+    testSystem.addTBPfraction("C6", 0.568724470114871, 84.93298402237961 / 1000.0,
+        666.591171644071 / 1000.0);
+    testSystem.addTBPfraction("C7", 0.9478147516962493, 90.01311937418495 / 1000.0,
+        746.9101810251765 / 1000.0);
+    testSystem.addTBPfraction("C8", 0.974840433764089, 102.34691375809437 / 1000.0,
+        776.2927119017166 / 1000.0);
+    testSystem.addTBPfraction("C9", 0.5505907716430188, 116.06055719132209 / 1000.0,
+        791.2983315058531 / 1000.0);
+    testSystem.addTBPfraction("C10", 1.9704404325720026, 221.831957 / 1000.0, 842.802708 / 1000.0);
+    testSystem.setMixingRule("classic");
+    testSystem.setMultiPhaseCheck(true);
+    testOps = new ThermodynamicOperations(testSystem);
+
+    for (int i = 0; i < 50; i++) {
+      testSystem.setTemperature(i, "C");
+      for (int j = 1; j < 50; j++) {
+        testSystem.setPressure(j, "bara");
+        try {
+          testOps.TPflash();
+          testSystem.initProperties();
+        } catch (Exception e) {
+          System.out.println("temperature " + testSystem.getTemperature("C") + " pressure "
+              + testSystem.getPressure("bara"));
+          e.printStackTrace();
+          assertTrue(false);
+        }
+      }
+    }
+
+
+  }
 }