Class PhasePitzer

java.lang.Object

neqsim.thermo.phase.Phase

neqsim.thermo.phase.PhaseGE

neqsim.thermo.phase.PhasePitzer

All Implemented Interfaces:

Serializable, Cloneable, PhaseGEInterface, PhaseInterface, ThermodynamicConstantsInterface

public class PhasePitzer
extends PhaseGE

Phase implementation for the Pitzer activity coefficient model.

Author:

esol

See Also:

• Serialized Form

Field Summary

Fields

Modifier and Type	Field	Description
private double[][]	beta0
private double[][]	beta1
private double[][]	cphi
private static final long	serialVersionUID	Serialization version UID.

Fields inherited from class PhaseGE

logger, mixRule, mixSelect

Fields inherited from class Phase

beta, calcMolarVolume, chemSyst, componentArray, diElectricConstant, mixingRuleType, molarVolume, numberOfComponents, numberOfMolesInPhase, phaseVolume, physicalPropertyHandler, pressure, pt, refPhase, temperature, thermoPropertyModelName, useVolumeCorrection, Z

Fields inherited from interface ThermodynamicConstantsInterface

atm, avagadroNumber, boltzmannConstant, electronCharge, faradayConstant, gravity, molarMassAir, normalStateTemperature, pi, planckConstant, R, referencePressure, referenceTemperature, standardStateTemperature, vacumPermittivity

Constructor Summary

Constructors

Constructor	Description
PhasePitzer()	Constructor for PhasePitzer.

Method Summary

Modifier and Type	Method	Description
void	addComponent(String name, double moles, double molesInPhase, int compNumber)	Add component to component array and update moles variables.
double	getActivityCoefficient(int k)	getActivityCoefficient.
double	getBeta0ij(int i, int j)	Get beta0 parameter.
double	getBeta1ij(int i, int j)	Get beta1 parameter.
double	getCp()	method to return specific heat capacity (Cp).
double	getCphiij(int i, int j)	Get Cphi parameter.
double	getCpres()	getCpres.
double	getCv()	method to return specific heat capacity (Cv).
double	getCvres()	getCvres.
double	getExcessGibbsEnergy(PhaseInterface phase, int numberOfComponents, double temperature, double pressure, PhaseType pt)	getExcessGibbsEnergy.
double	getHresdP()	getHresdP.
double	getHresTP()	getHresTP.
double	getIonicStrength()	Calculate ionic strength.
double	getSolventWeight()	Get mass of solvent in kilograms.
double	getSresTP()	getSresTP.
double	getSresTV()	getSresTV.
double	molarVolume(double pressure, double temperature, double A, double B, PhaseType pt)	molarVolume.
void	setAlpha(double[][] alpha)	setAlpha.
void	setBinaryParameters(int i, int j, double b0, double b1, double c)	Set binary Pitzer parameters.
void	setDij(double[][] Dij)	setDij.
void	setDijT(double[][] DijT)	setDijT.
void	setMixingRule(MixingRuleTypeInterface mr)	setMixingRule.

Methods inherited from class PhaseGE

getActivityCoefficientInfDil, getActivityCoefficientInfDilWater, getActivityCoefficientSymetric, getDensity, getEnthalpy, getEntropy, getJouleThomsonCoefficient, getMixingRule, getMolarVolume, getSoundSpeed, getZ, init, init, resetMixingRule, setMixingRuleGEModel

Methods inherited from class Phase

addComponent, addMoles, addMolesChemReac, calcA, calcA, calcAi, calcAij, calcAiT, calcAT, calcB, calcBi, calcBij, calcDiElectricConstant, calcDiElectricConstantdT, calcDiElectricConstantdTdT, calcMolarVolume, calcR, clone, dFdT, dFdTdT, dFdTdV, dFdV, dFdVdV, equals, fb, FB, fBB, FBB, FBD, FBT, fBV, FBV, FD, FDT, FDV, Fn, FnB, FnV, FT, FTT, FTV, fv, FV, fVV, FVV, gb, gBB, gBV, geta, getA, getActivityCoefficient, getActivityCoefficient, getActivityCoefficientUnSymetric, getAiT, getAlpha0_EOSCG, getAlpha0_GERG2008, getAlpha0_Leachman, getAlpha0_Leachman, getAlpha0_Vega, getAlphares_EOSCG, getAlphares_GERG2008, getAlphares_Leachman, getAlphares_Leachman, getAlphares_Vega, getAntoineVaporPressure, getAT, getATT, getb, getB, getBeta, getBi, getComponent, getComponent, getcomponentArray, getComponentNames, getComponents, getComponentWithIndex, getComposition, getCompressibilityX, getCompressibilityY, getCorrectedVolume, getCp, getCp0, getCv, getDensity, getDensity_AGA8, getDensity_EOSCG, getDensity_GERG2008, getDensity_Leachman, getDensity_Leachman, getDensity_Vega, getDiElectricConstant, getdPdrho, getdPdTVn, getdPdVTn, getdrhodN, getdrhodP, getdrhodT, getEnthalpy, getEnthalpydP, getEnthalpydT, getEntropy, getEntropydP, getEntropydT, getExcessGibbsEnergy, getExcessGibbsEnergySymetric, getFlowRate, getFugacity, getFugacity, getg, getGamma, getGibbsEnergy, getGresTP, getHelmholtzEnergy, getHID, getInfiniteDiluteFugacity, getInfiniteDiluteFugacity, getInitType, getInternalEnergy, getInternalEnergy, getIsobaricThermalExpansivity, getIsothermalCompressibility, getJouleThomsonCoefficient, getKappa, getLogActivityCoefficient, getLogInfiniteDiluteFugacity, getLogInfiniteDiluteFugacity, getLogPureComponentFugacity, getLogPureComponentFugacity, getMass, getMeanIonicActivity, getMixGibbsEnergy, getMixingRuleType, getModelName, getMolalMeanIonicActivity, getMolarComposition, getMolarMass, getMolarMass, getMolarVolume, getMoleFraction, getNumberOfComponents, getNumberOfIonicComponents, getNumberOfMolecularComponents, getNumberOfMolesInPhase, getOsmoticCoefficient, getOsmoticCoefficientOfWater, getOsmoticCoefficientOfWaterMolality, getpH, getpH, getPhase, getPhysicalProperties, getPhysicalPropertyModel, getPressure, getPressure, getProperties_EOSCG, getProperties_GERG2008, getProperties_Leachman, getProperties_Leachman, getProperties_Vega, getPseudoCriticalPressure, getPseudoCriticalTemperature, getPureComponentFugacity, getPureComponentFugacity, getRefPhase, getRefPhase, getSoundSpeed, getTemperature, getTemperature, getThermalConductivity, getThermalConductivity, getThermoPropertyModelName, getTotalVolume, getType, getViscosity, getViscosity, getVolume, getVolume, getWaterDensity, getWtFrac, getWtFrac, getWtFraction, getWtFractionOfWaxFormingComponents, getZvolcorr, groupTBPfractions, gV, gVV, hasComponent, hasPlusFraction, hasTBPFraction, initPhysicalProperties, initPhysicalProperties, initRefPhases, initRefPhases, isConstantPhaseVolume, isMixingRuleDefined, normalize, removeComponent, resetPhysicalProperties, setAttractiveTerm, setBeta, setComponentArray, setConstantPhaseVolume, setEmptyFluid, setInitType, setMolarVolume, setMoleFractions, setNumberOfComponents, setParams, setPhysicalProperties, setPhysicalPropertyModel, setPpm, setPressure, setProperties, setRefPhase, setRefPhase, setTemperature, setTotalVolume, setType, useVolumeCorrection, useVolumeCorrection

Methods inherited from class Object

finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Methods inherited from interface PhaseInterface

addMolesChemReac, getGamma2, getPhaseFraction, getPhaseTypeName, hasComponent, init, init, initPhysicalProperties, isAsphalteneRich, setMixingRule, setPhaseTypeName, setPhysicalProperties

Field Details

serialVersionUID

private static final long serialVersionUID

Serialization version UID.

See Also:

• Constant Field Values

beta0

private double[][] beta0

beta1

private double[][] beta1

cphi

private double[][] cphi

Constructor Details

PhasePitzer

public PhasePitzer()

Constructor for PhasePitzer.

Method Details

addComponent

public void addComponent(String name,
 double moles,
 double molesInPhase,
 int compNumber)

Add component to component array and update moles variables.

Parameters:

name - Name of component.

moles - Total number of moles of component.

molesInPhase - Number of moles in phase.

compNumber - Index number of component in phase object component array.

getExcessGibbsEnergy

public double getExcessGibbsEnergy(PhaseInterface phase,
 int numberOfComponents,
 double temperature,
 double pressure,
 PhaseType pt)

getExcessGibbsEnergy.

Parameters:

phase - a PhaseInterface object

numberOfComponents - a int

temperature - a double

pressure - a double

pt - the PhaseType of the phase

Returns:

a double

setMixingRule

public void setMixingRule(MixingRuleTypeInterface mr)

setMixingRule.

Specified by:

setMixingRule in interface PhaseInterface

Overrides:

setMixingRule in class PhaseGE

Parameters:

mr - a MixingRuleTypeInterface

setAlpha

public void setAlpha(double[][] alpha)

setAlpha.

Parameters:

alpha - an array of type double

setDij

public void setDij(double[][] Dij)

setDij.

Parameters:

Dij - an array of type double

setDijT

public void setDijT(double[][] DijT)

setDijT.

Parameters:

DijT - an array of type double

setBinaryParameters

public void setBinaryParameters(int i,
 int j,
 double b0,
 double b1,
 double c)

Set binary Pitzer parameters.

Parameters:

i - component i

j - component j

b0 - beta0 parameter

b1 - beta1 parameter

c - cPhi parameter

getBeta0ij

public double getBeta0ij(int i,
 int j)

Get beta0 parameter.

Parameters:

i - component index i

j - component index j

Returns:

beta0 parameter for components i and j

getBeta1ij

public double getBeta1ij(int i,
 int j)

Get beta1 parameter.

Parameters:

i - component index i

j - component index j

Returns:

beta1 parameter for components i and j

getCphiij

public double getCphiij(int i,
 int j)

Get Cphi parameter.

Parameters:

i - component index i

j - component index j

Returns:

Cphi parameter for components i and j

getIonicStrength

public double getIonicStrength()

Calculate ionic strength.

Returns:

ionic strength

getSolventWeight

public double getSolventWeight()

Get mass of solvent in kilograms.

Returns:

solvent mass

getActivityCoefficient

public double getActivityCoefficient(int k)

getActivityCoefficient.

Specified by:

getActivityCoefficient in interface PhaseInterface

Overrides:

getActivityCoefficient in class PhaseGE

Parameters:

k - a int

Returns:

a double

molarVolume

public double molarVolume(double pressure,
 double temperature,
 double A,
 double B,
 PhaseType pt)
                   throws IsNaNException,
TooManyIterationsException

molarVolume.

Parameters:

pressure - a double

temperature - a double

A - a double

B - a double

pt - the PhaseType of the phase

Returns:

a double

Throws:

IsNaNException - if any.

TooManyIterationsException - if any.

getHresTP

public double getHresTP()

getHresTP.

Specified by:

getHresTP in interface PhaseInterface

Overrides:

getHresTP in class Phase

Returns:

a double

getHresdP

public double getHresdP()

getHresdP.

Overrides:

getHresdP in class Phase

Returns:

a double

getSresTV

public double getSresTV()

getSresTV.

Overrides:

getSresTV in class Phase

Returns:

a double

getSresTP

public double getSresTP()

getSresTP.

Specified by:

getSresTP in interface PhaseInterface

Overrides:

getSresTP in class Phase

Returns:

a double

getCpres

public double getCpres()

getCpres.

Calculates the excess heat capacity via finite-difference temperature derivatives of the activity coefficients. In the current implementation the Pitzer binary parameters are temperature independent, so the residual contribution evaluates to zero.

Specified by:

getCpres in interface PhaseInterface

Overrides:

getCpres in class Phase

Returns:

a double

getCvres

public double getCvres()

getCvres.

Overrides:

getCvres in class Phase

Returns:

a double

getCp

public double getCp()

method to return specific heat capacity (Cp).

Specified by:

getCp in interface PhaseInterface

Overrides:

getCp in class PhaseGE

Returns:

Cp in unit J/K

getCv

public double getCv()

method to return specific heat capacity (Cv).

Specified by:

getCv in interface PhaseInterface

Overrides:

getCv in class PhaseGE

Returns:

Cv in unit J/K