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wip #648

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Apr 28, 2023
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wip #648

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5104ad7
wip
asmfstatoil Apr 28, 2023
e0e20e8
rename variable
asmfstatoil Apr 28, 2023
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4 changes: 1 addition & 3 deletions src/main/java/neqsim/thermo/system/SystemInterface.java
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Original file line number Diff line number Diff line change
Expand Up @@ -1813,10 +1813,8 @@ public double calcBeta()
* <p>
* initBeta.
* </p>
*
* @return a double
*/
public double initBeta();
public void initBeta();

/**
* <p>
Expand Down
97 changes: 53 additions & 44 deletions src/main/java/neqsim/thermo/system/SystemThermo.java
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Original file line number Diff line number Diff line change
Expand Up @@ -39,36 +39,43 @@
/*
* This is the base class of the System classes.
*/

abstract class SystemThermo implements SystemInterface {
private static final long serialVersionUID = 1000;
static Logger logger = LogManager.getLogger(SystemThermo.class);

// Class variables
private static final int MAX_PHASES = 6;

private boolean implementedTemperatureDeriativesofFugacity = true;
private boolean implementedPressureDeriativesofFugacity = true;
private boolean implementedCompositionDeriativesofFugacity = true;
protected double criticalTemperature = 0;
protected String[][] resultTable = null;
boolean isInitialized = false;
// Object metadata
protected String fluidInfo = "No Information Available";
protected String fluidName = "DefaultName";

protected String modelName = "Default";

// Initialization
boolean isInitialized = false;
protected boolean numericDerivatives = false;
protected int initType = 3;

private boolean implementedTemperatureDeriativesofFugacity = true;
private boolean implementedPressureDeriativesofFugacity = true;
private boolean implementedCompositionDeriativesofFugacity = true;
protected double criticalTemperature = 0;
protected String[][] resultTable = null;

protected boolean allowPhaseShift = true;

private boolean useTVasIndependentVariables = false;
protected double criticalPressure = 0;
private double totalNumberOfMoles = 0;

// todo: componentNameTag is not working yet, a kind of alias-postfix for Components from this
// system that will be passed on to other systems. used to find originator of specific components
// or
public String componentNameTag = "";
protected neqsim.thermo.characterization.WaxCharacterise waxCharacterisation = null;
protected double[] beta = new double[6];
protected double[] beta = new double[MAX_PHASES];
protected int a;

protected int initType = 3;

private ArrayList<String> componentNames = new ArrayList<String>();
// protected ArrayList<String> resultArray1 = new ArrayList<String>();
protected String[] CapeOpenProperties11 = {"molecularWeight", "speedOfSound",
Expand All @@ -95,36 +102,39 @@ abstract class SystemThermo implements SystemInterface {
protected int numberOfPhases = 2;
public int maxNumberOfPhases = 2;
protected int attractiveTermNumber = 0;
protected int phase = 2;
protected int onePhaseType = 1; // 0 - liquid 1 - gas

// phasetype to be enum
protected int[] phaseType = {1, 0, 0, 0, 0, 0};

// Index refers to position in phaseArray. First value of phaseIndex is the phase which is created
// first and the last is the phase created last.
protected int[] phaseIndex = {0, 1, 2, 3, 4, 5};

// All phases of System. Flashes reorders phaseArray by density.
protected PhaseInterface[] phaseArray;

protected ChemicalReactionOperations chemicalReactionOperations = null;
private int mixingRule = 1;
protected boolean chemicalSystem = false;

protected boolean solidPhaseCheck = false;

protected boolean multiPhaseCheck = false;

protected boolean hydrateCheck = false;

protected boolean checkStability = true;
protected PhaseInterface[] phaseArray;
public neqsim.thermo.characterization.Characterise characterization = null;
protected neqsim.standards.StandardInterface standard = null;
protected InterphasePropertiesInterface interfaceProp = null;
private boolean multiphaseWaxCheck = false;
private boolean forcePhaseTypes = false;
static Logger logger = LogManager.getLogger(SystemThermo.class);

/**
* <p>
* Constructor for SystemThermo.
* </p>
*/
public SystemThermo() {
phaseArray = new PhaseInterface[6];
phaseArray = new PhaseInterface[MAX_PHASES];
characterization = new Characterise(this);
interfaceProp = new InterfaceProperties(this);
}
Expand Down Expand Up @@ -178,8 +188,6 @@ public void clearAll() {
phaseType[1] = 0;
numberOfComponents = 0;
setNumberOfPhases(2);
phase = 2;
onePhaseType = 1;
beta[0] = 1.0;
beta[1] = 1.0;
beta[2] = 1.0;
Expand Down Expand Up @@ -849,7 +857,7 @@ public void addTBPfraction(String componentName, double numberOfMoles, double mo
// // refSystem.setPressure(1.01325);
// // refSystem.init(1);
// //refSystem.initPhysicalProperties();
// // APIdens - refSystem.getPhase(1).getPhysicalProperties().getDensity();;
// // APIdens - refSystem.getPhase(1).getPhysicalProperties().getDensity();
// sammenligne med API-standard for tetthet - og sette Penloux dt
} catch (Exception ex) {
logger.error("error", ex);
Expand Down Expand Up @@ -993,7 +1001,7 @@ public void addTBPfraction(String componentName, double numberOfMoles, double mo
// // refSystem.setPressure(1.01325);
// // refSystem.init(1);
// // refSystem.initPhysicalProperties();
// // APIdens - refSystem.getPhase(1).getPhysicalProperties().getDensity();;
// // APIdens - refSystem.getPhase(1).getPhysicalProperties().getDensity();
// // sammenligne med API-standard for tetthet - og sette Penloux dt
} catch (Exception ex) {
logger.error("error", ex);
Expand Down Expand Up @@ -1394,7 +1402,7 @@ public final double calcBeta() throws neqsim.util.exception.IsNaNException,
double maxBeta = 1.0 - tolerance;
double g0 = -1.0;
double g1 = 1.0;
nybeta = beta[0];
nybeta = this.beta[0];
betal = 1.0 - nybeta;

for (i = 0; i < numberOfComponents; i++) {
Expand All @@ -1411,14 +1419,14 @@ public final double calcBeta() throws neqsim.util.exception.IsNaNException,
}

if (g0 < 0) {
beta[1] = 1.0 - tolerance;
beta[0] = tolerance;
return beta[0];
this.beta[1] = 1.0 - tolerance;
this.beta[0] = tolerance;
return this.beta[0];
}
if (g1 > 0) {
beta[1] = tolerance;
beta[0] = 1.0 - tolerance;
return beta[0];
this.beta[1] = tolerance;
this.beta[0] = 1.0 - tolerance;
return this.beta[0];
}

nybeta = (minBeta + maxBeta) / 2.0;
Expand Down Expand Up @@ -1525,18 +1533,18 @@ public final double calcBeta() throws neqsim.util.exception.IsNaNException,

// System.out.println("beta: " + nybeta + " iterations: " + iterations);
if (nybeta <= tolerance) {
phase = 1;
// this.phase = 1;
nybeta = tolerance;
} else if (nybeta >= 1.0 - tolerance) {
phase = 0;
// this.phase = 0;
nybeta = 1.0 - tolerance;
// superheated vapour
} else {
phase = 2;
// this.phase = 2;
} // two-phase liquid-gas

beta[0] = nybeta;
beta[1] = 1.0 - nybeta;
this.beta[0] = nybeta;
this.beta[1] = 1.0 - nybeta;

if (iterations >= maxIterations) {
throw new neqsim.util.exception.TooManyIterationsException(this, "calcBeta", maxIterations);
Expand All @@ -1548,17 +1556,16 @@ public final double calcBeta() throws neqsim.util.exception.IsNaNException,
*/
throw new neqsim.util.exception.IsNaNException(this, "calcBeta", "beta");
}
return beta[0];
return this.beta[0];
}

/** {@inheritDoc} */
@Override
public final double initBeta() {
public final void initBeta() {
for (int i = 0; i < numberOfPhases; i++) {
beta[phaseIndex[i]] = getPhase(i).getNumberOfMolesInPhase() / getTotalNumberOfMoles();
this.beta[phaseIndex[i]] = getPhase(i).getNumberOfMolesInPhase() / getTotalNumberOfMoles();
// System.out.println("beta " + beta[i]);
}
return beta[phaseIndex[0]];
}

/** {@inheritDoc} */
Expand Down Expand Up @@ -1726,8 +1733,7 @@ public boolean hasSolidPhase() {
/** {@inheritDoc} */
@Override
public void init(int type) {
isInitialized = true;
if (numericDerivatives) {
if (this.numericDerivatives) {
initNumeric(type);
} else {
initAnalytic(type);
Expand All @@ -1737,8 +1743,7 @@ public void init(int type) {
/** {@inheritDoc} */
@Override
public void init(int type, int phase) {
isInitialized = true;
if (numericDerivatives) {
if (this.numericDerivatives) {
initNumeric(type, phase);
} else {
initAnalytic(type, phase);
Expand Down Expand Up @@ -1846,6 +1851,7 @@ public void initAnalytic(int type) {
}
}
}
this.isInitialized = true;
}

/**
Expand Down Expand Up @@ -1900,6 +1906,7 @@ public void initAnalytic(int type, int phase) {
tmpPhase.setPhaseTypeName("oil");
}
}
this.isInitialized = true;
}

/**
Expand Down Expand Up @@ -2018,6 +2025,7 @@ public void initNumeric(int type, int phasen) {
}
}
}
this.isInitialized = true;
}

/** {@inheritDoc} */
Expand Down Expand Up @@ -4770,10 +4778,11 @@ public double[] getMolarRate() {
/** {@inheritDoc} */
@Override
public double[] getMolarComposition() {
double[] comp = new double[getPhase(0).getNumberOfComponents()];
PhaseInterface phase = this.getPhase(0);
double[] comp = new double[phase.getNumberOfComponents()];

for (int compNumb = 0; compNumb < numberOfComponents; compNumb++) {
comp[compNumb] = getPhase(0).getComponent(compNumb).getz();
comp[compNumb] = phase.getComponent(compNumb).getz();
}
return comp;
}
Expand Down