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try fix #1029

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merged 2 commits into from
Jun 19, 2024
Merged

try fix #1029

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e747230
try fix
EvenSol Jun 19, 2024
5bac856
update
EvenSol Jun 19, 2024
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8 changes: 7 additions & 1 deletion src/main/java/neqsim/thermodynamicOperations/flashOps/Flash.java
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Original file line number Diff line number Diff line change
Expand Up @@ -352,9 +352,15 @@ public boolean stabilityCheck() {
this.solidPhaseFlash();
}
} else {
RachfordRice rachfordRice = new RachfordRice();
try {
system.setBeta(RachfordRice.calcBeta(system.getKvector(), system.getzvector()));
system.setBeta(rachfordRice.calcBeta(system.getKvector(), system.getzvector()));
} catch (Exception ex) {
if (!Double.isNaN(rachfordRice.getBeta()[0])) {
system.setBeta(rachfordRice.getBeta()[0]);
} else {
system.setBeta(Double.NaN);
}
logger.error(ex.getMessage(), ex);
}
system.calc_x_y();
Expand Down
19 changes: 15 additions & 4 deletions src/main/java/neqsim/thermodynamicOperations/flashOps/RachfordRice.java
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Original file line number Diff line number Diff line change
Expand Up @@ -6,13 +6,16 @@

package neqsim.thermodynamicOperations.flashOps;

import java.io.Serializable;

/**
* RachfordRice classes.
*
* @author Even Solbraa
*/
public class RachfordRice {
public class RachfordRice implements Serializable {
private static final long serialVersionUID = 1000;
private double[] beta = new double[2];

/**
* <p>
Expand All @@ -25,7 +28,7 @@ public class RachfordRice {
* @throws neqsim.util.exception.IsNaNException if any.
* @throws neqsim.util.exception.TooManyIterationsException if any.
*/
public static double calcBeta(double[] K, double[] z) throws neqsim.util.exception.IsNaNException,
public double calcBeta(double[] K, double[] z) throws neqsim.util.exception.IsNaNException,
neqsim.util.exception.TooManyIterationsException {

int i;
Expand Down Expand Up @@ -138,6 +141,8 @@ public static double calcBeta(double[] K, double[] z) throws neqsim.util.excepti
} else if (nybeta >= 1.0 - tolerance) {
nybeta = 1.0 - tolerance;
}
beta[0] = nybeta;
beta[1] = 1.0 - nybeta;

if (iterations >= maxIterations) {
throw new neqsim.util.exception.TooManyIterationsException(new RachfordRice(), "calcBeta",
Expand All @@ -159,8 +164,7 @@ public static double calcBeta(double[] K, double[] z) throws neqsim.util.excepti
* @throws neqsim.util.exception.IsNaNException if any.
* @throws neqsim.util.exception.TooManyIterationsException if any.
*/
public static double calcBeta2(double[] K, double[] z)
throws neqsim.util.exception.IsNaNException,
public double calcBeta2(double[] K, double[] z) throws neqsim.util.exception.IsNaNException,
neqsim.util.exception.TooManyIterationsException {

double tolerance = neqsim.thermo.ThermodynamicModelSettings.phaseFractionMinimumLimit;
Expand Down Expand Up @@ -269,6 +273,9 @@ public static double calcBeta2(double[] K, double[] z)
V = 1.0 - tolerance;
}

beta[0] = V;
beta[1] = 1.0 - V;

if (iter >= maxIterations) {
throw new neqsim.util.exception.TooManyIterationsException(new RachfordRice(), "calcBeta",
maxIterations);
Expand All @@ -280,4 +287,8 @@ public static double calcBeta2(double[] K, double[] z)
return V;
}

public double[] getBeta() {
return beta;
}

}
17 changes: 12 additions & 5 deletions src/main/java/neqsim/thermodynamicOperations/flashOps/TPflash.java
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Original file line number Diff line number Diff line change
Expand Up @@ -90,8 +90,10 @@ public void sucsSubs() {
}

double oldBeta = system.getBeta();

RachfordRice rachfordRice = new RachfordRice();
try {
system.setBeta(RachfordRice.calcBeta(system.getKvector(), system.getzvector()));
system.setBeta(rachfordRice.calcBeta(system.getKvector(), system.getzvector()));
} catch (IsNaNException ex) {
logger.warn("Not able to calculate beta. Value is NaN");
system.setBeta(oldBeta);
Expand Down Expand Up @@ -132,13 +134,16 @@ public void accselerateSucsSubs() {
system.getPhase(1).getComponent(i).setK(Math.exp(lnK[i]));
}
double oldBeta = system.getBeta();
RachfordRice rachfordRice = new RachfordRice();
try {
system.setBeta(RachfordRice.calcBeta(system.getKvector(), system.getzvector()));
system.setBeta(rachfordRice.calcBeta(system.getKvector(), system.getzvector()));
} catch (Exception ex) {
system.setBeta(rachfordRice.getBeta()[0]);
if (system.getBeta() > 1.0 - betaTolerance || system.getBeta() < betaTolerance) {
system.setBeta(oldBeta);
}
logger.info("temperature " + system.getTemperature() + " pressure " + system.getPressure());
// logger.info("temperature " + system.getTemperature() + " pressure " +
// system.getPressure());
logger.error(ex.getMessage(), ex);
}

Expand Down Expand Up @@ -178,7 +183,8 @@ public void resetK() {
system.getPhase(1).getComponents()[i].setK(Math.exp(lnK[i]));
}
try {
system.setBeta(RachfordRice.calcBeta(system.getKvector(), system.getzvector()));
RachfordRice rachfordRice = new RachfordRice();
system.setBeta(rachfordRice.calcBeta(system.getKvector(), system.getzvector()));
system.calc_x_y();
system.init(1);
} catch (Exception ex) {
Expand Down Expand Up @@ -249,7 +255,8 @@ public void run() {

// Calculates phase fractions and initial composition based on Wilson K-factors
try {
system.setBeta(RachfordRice.calcBeta(system.getKvector(), system.getzvector()));
RachfordRice rachfordRice = new RachfordRice();
system.setBeta(rachfordRice.calcBeta(system.getKvector(), system.getzvector()));
} catch (Exception ex) {
logger.error(ex.getMessage(), ex);
}
Expand Down
6 changes: 4 additions & 2 deletions src/test/java/neqsim/thermodynamicOperations/flashOps/RachfordRiceTest.java
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Original file line number Diff line number Diff line change
Expand Up @@ -11,7 +11,8 @@ void testCalcBeta() {
double[] K = new double[] {2.0, 0.01};

try {
Assertions.assertEquals(0.407070707, RachfordRice.calcBeta(K, z), 1e-6);
RachfordRice rachfordRice = new RachfordRice();
Assertions.assertEquals(0.407070707, rachfordRice.calcBeta(K, z), 1e-6);
} catch (Exception e) {
e.printStackTrace();
}
Expand All @@ -25,7 +26,8 @@ void testCalcBetaMethod2() {
double[] K = new double[] {2.0, 0.01};

try {
Assertions.assertEquals(0.407070707, RachfordRice.calcBeta(K, z), 1e-6);
RachfordRice rachfordRice = new RachfordRice();
Assertions.assertEquals(0.407070707, rachfordRice.calcBeta(K, z), 1e-6);
} catch (Exception e) {
e.printStackTrace();
}
Expand Down