Interface PhaseCPAInterface

All Superinterfaces:

Cloneable, PhaseEosInterface, PhaseInterface, Serializable, ThermodynamicConstantsInterface

All Known Implementing Classes:

PhaseElectrolyteCPA, PhaseElectrolyteCPAMM, PhaseElectrolyteCPAOld, PhaseElectrolyteCPAstatoil, PhasePCSAFTa, PhasePrCPA, PhaseSrkCPA, PhaseSrkCPAs, PhaseUMRCPA

public interface PhaseCPAInterface
extends PhaseEosInterface

PhaseCPAInterface interface.

This interface defines the contract for CPA (Cubic Plus Association) phase implementations. It provides default implementations for the radial distribution function and its derivatives, which are the same for all cubic equations of state (SRK, PR, UMR) based on the simplified Carnahan-Starling hard-sphere model.

Version:

$Id: $Id

Author:

Even Solbraa

Field Summary

Fields inherited from interface ThermodynamicConstantsInterface

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

Method Summary

Modifier and Type	Method	Description
default double	calc_g()	Calculate radial distribution function g at contact using simplified Carnahan-Starling.
default double	calc_hCPA()	Calculate the sum of (1 - X_i) over all association sites, weighted by moles.
default double	calc_lngV()	Calculate first volume derivative of ln(g).
default double	calc_lngVV()	Calculate second volume derivative of ln(g).
default double	calc_lngVVV()	Calculate third volume derivative of ln(g).
CPAMixingRulesInterface	getCpaMixingRule()	getCpaMixingRule.
int	getCrossAssosiationScheme(int comp1, int comp2, int site1, int site2)	getCrossAssosiationScheme.
double	getGcpa()	getGcpa.
double	getGcpav()	getGcpav.
double	getHcpatot()	Getter for property hcpatot.
int	getTotalNumberOfAccociationSites()	getTotalNumberOfAccociationSites.
void	setTotalNumberOfAccociationSites(int totalNumberOfAccociationSites)	setTotalNumberOfAccociationSites.

Methods inherited from interface PhaseEosInterface

calcPressure, calcPressuredV, dFdN, dFdNdN, dFdNdT, dFdNdV, displayInteractionCoefficients, F, getAresTV, getEosMixingRule, getMixingRuleName, getMolarVolume, getPressureAttractive, getPressureRepulsive, getSresTV

Methods inherited from interface PhaseInterface

addComponent, addMoles, addMolesChemReac, addMolesChemReac, calcA, calcAi, calcAij, calcAiT, calcAT, calcB, calcBi, calcBij, calcMolarVolume, calcR, clone, dFdT, dFdTdT, dFdTdV, dFdV, dFdVdV, 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, getActivityCoefficient, getActivityCoefficientSymetric, getActivityCoefficientUnSymetric, 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, getComponent, getComponent, getcomponentArray, getComponentNames, getComponents, getComponentWithIndex, getComposition, getCompressibilityX, getCompressibilityY, getCorrectedVolume, getCp, getCp, getCp0, getCpres, getCv, getCv, getDensity, getDensity, getDensity_AGA8, getDensity_EOSCG, getDensity_GERG2008, getDensity_Leachman, getDensity_Leachman, getDensity_Vega, getdPdrho, getdPdTVn, getdPdVTn, getdrhodN, getdrhodP, getdrhodT, getEnthalpy, getEnthalpy, getEnthalpydP, getEnthalpydT, getEntropy, getEntropy, getEntropydP, getEntropydT, getExcessGibbsEnergy, getExcessGibbsEnergySymetric, getFlowRate, getFugacity, getFugacity, getg, getGamma, getGamma2, getGibbsEnergy, getGresTP, getHelmholtzEnergy, getHresTP, getInfiniteDiluteFugacity, getInitType, getInternalEnergy, getInternalEnergy, getIsobaricThermalExpansivity, getIsothermalCompressibility, getJouleThomsonCoefficient, getJouleThomsonCoefficient, getKappa, getLogActivityCoefficient, getLogInfiniteDiluteFugacity, getLogInfiniteDiluteFugacity, getLogPureComponentFugacity, getMass, getMeanIonicActivity, getMixGibbsEnergy, getMixingRule, getMixingRuleType, getModelName, getMolalMeanIonicActivity, getMolarComposition, getMolarMass, getMolarMass, getMolarVolume, getMoleFraction, getNumberOfComponents, getNumberOfIonicComponents, getNumberOfMolecularComponents, getNumberOfMolesInPhase, getOsmoticCoefficient, getOsmoticCoefficientOfWater, getOsmoticCoefficientOfWaterMolality, getpH, getpH, getPhase, getPhaseFraction, getPhaseTypeName, getPhysicalProperties, getPhysicalPropertyModel, getPressure, getPressure, getProperties_EOSCG, getProperties_GERG2008, getProperties_Leachman, getProperties_Leachman, getProperties_Vega, getPseudoCriticalPressure, getPseudoCriticalTemperature, getPureComponentFugacity, getPureComponentFugacity, getRefPhase, getRefPhase, getSoundSpeed, getSoundSpeed, getSresTP, getTemperature, getTemperature, getThermalConductivity, getThermalConductivity, getTotalVolume, getType, getViscosity, getViscosity, getVolume, getVolume, getWaterDensity, getWtFrac, getWtFrac, getWtFraction, getWtFractionOfWaxFormingComponents, getZ, getZvolcorr, gV, gVV, hasComponent, hasComponent, hasPlusFraction, hasTBPFraction, init, init, init, initPhysicalProperties, initPhysicalProperties, initPhysicalProperties, initRefPhases, isAsphalteneRich, isConstantPhaseVolume, isMixingRuleDefined, molarVolume, normalize, removeComponent, resetMixingRule, resetPhysicalProperties, setAttractiveTerm, setBeta, setComponentArray, setConstantPhaseVolume, setEmptyFluid, setInitType, setMixingRule, setMixingRule, setMixingRuleGEModel, setMolarVolume, setMoleFractions, setNumberOfComponents, setParams, setPhaseTypeName, setPhysicalProperties, setPhysicalProperties, setPhysicalPropertyModel, setPpm, setPressure, setProperties, setRefPhase, setRefPhase, setTemperature, setTotalVolume, setType, useVolumeCorrection, useVolumeCorrection

Method Details

getHcpatot

double getHcpatot()

Getter for property hcpatot.

Returns:

a double

getCrossAssosiationScheme

int getCrossAssosiationScheme(int comp1,
 int comp2,
 int site1,
 int site2)

getCrossAssosiationScheme.

Parameters:

comp1 - a int

comp2 - a int

site1 - a int

site2 - a int

Returns:

a int

getGcpa

double getGcpa()

getGcpa.

Returns:

a double

getGcpav

double getGcpav()

getGcpav.

Returns:

a double

getTotalNumberOfAccociationSites

int getTotalNumberOfAccociationSites()

getTotalNumberOfAccociationSites.

Returns:

a int

setTotalNumberOfAccociationSites

void setTotalNumberOfAccociationSites(int totalNumberOfAccociationSites)

setTotalNumberOfAccociationSites.

Parameters:

totalNumberOfAccociationSites - a int

getCpaMixingRule

CPAMixingRulesInterface getCpaMixingRule()

getCpaMixingRule.

Returns:

a CPAMixingRulesInterface object

calc_hCPA

default double calc_hCPA()

Calculate the sum of (1 - X_i) over all association sites, weighted by moles. This is used in the CPA contribution to Helmholtz energy.

Returns:

hCPA value

calc_g

default double calc_g()

Calculate radial distribution function g at contact using simplified Carnahan-Starling.

g = (2 - b/4V) / (2 * (1 - b/4V)³)

This formula is the same for all cubic EOS (SRK, PR, UMR) since it depends only on the co-volume parameter b, not on the attraction parameter a.

Returns:

g value

calc_lngV

default double calc_lngV()

Calculate first volume derivative of ln(g).

d(ln g)/dV

Returns:

d(ln g)/dV

calc_lngVV

default double calc_lngVV()

Calculate second volume derivative of ln(g).

d²(ln g)/dV²

Returns:

d²(ln g)/dV²

calc_lngVVV

default double calc_lngVVV()

Calculate third volume derivative of ln(g).

d³(ln g)/dV³

Returns:

d³(ln g)/dV³