Class SystemElectrolyteCPAAdvanced

java.lang.Object

neqsim.thermo.system.SystemThermo

neqsim.thermo.system.SystemEos

neqsim.thermo.system.SystemSrkEos

neqsim.thermo.system.SystemFurstElectrolyteEos

neqsim.thermo.system.SystemElectrolyteCPAAdvanced

All Implemented Interfaces:

Serializable, Cloneable, SystemInterface

public class SystemElectrolyteCPAAdvanced
extends SystemFurstElectrolyteEos

Thermodynamic system using the e-CPA-Advanced electrolyte equation of state.

The e-CPA-Advanced model extends the electrolyte CPA framework with:

• Ion-specific short-range interaction parameters (W) instead of universal correlations
• Temperature-dependent Born radii for accurate solvation energetics
• Quadratic temperature dependence in ion-solvent interactions
• Ion-pair formation for 2:2 electrolytes (MgSO4, CaSO4, etc.)

Usage

SystemInterface brine = new SystemElectrolyteCPAAdvanced(298.15, 10.0);
brine.addComponent("water", 1.0);
brine.addComponent("Na+", 0.01);
brine.addComponent("Cl-", 0.01);
brine.setMixingRule(10);

ThermodynamicOperations ops = new ThermodynamicOperations(brine);
ops.TPflash();
brine.initProperties();

References

• Maribo-Mogensen et al., Ind. Eng. Chem. Res. 2012, 51, 5353-5363
• Furst and Renon, AIChE J. 1993, 39(2), 335-343
• Robinson and Stokes, Electrolyte Solutions, 2nd Ed., 2002

Version:

1.0

Author:

Even Solbraa

See Also:

• Serialized Form

Field Summary

Fields

Modifier and Type	Field	Description
private static final long	serialVersionUID	Serialization version UID.

Fields inherited from class SystemThermo

a, allowPhaseShift, attractiveTermNumber, beta, CapeOpenProperties10, CapeOpenProperties11, characterization, checkStability, chemicalReactionOperations, chemicalSystem, componentNameTag, criticalPressure, criticalTemperature, enhancedMultiPhaseCheck, fluidInfo, fluidName, hydrateCheck, interfaceProp, isInitialized, logger, maxNumberOfPhases, modelName, multiPhaseCheck, numberOfComponents, numberOfPhases, numericDerivatives, oilAssayCharacterisation, phaseArray, phaseIndex, phaseType, resultTable, solidPhaseCheck, standard, waxCharacterisation

Constructor Summary

Constructors

Constructor	Description
SystemElectrolyteCPAAdvanced()	Constructor for SystemElectrolyteCPAAdvanced with default conditions (298.15 K, 1 bara).
SystemElectrolyteCPAAdvanced(double T, double P)	Constructor for SystemElectrolyteCPAAdvanced.

Method Summary

Modifier and Type	Method	Description
SystemElectrolyteCPAAdvanced	clone()	clone.

Methods inherited from class SystemEos

equals

Methods inherited from class SystemThermo

addCapeOpenProperty, addCharacterized, addComponent, addComponent, addComponent, addComponent, addComponent, addComponent, addComponent, addComponent, addFluid, addFluid, addGasToLiquid, addHydratePhase, addHydratePhase2, addLiquidToGas, addOilFractions, addOilFractions, addPhase, addPhaseFractionToPhase, addPhaseFractionToPhase, addPlusFraction, addSalt, addSolidComplexPhase, addSolidPhase, addTBPfraction, addTBPfraction, addTBPfraction2, addTBPfraction3, addTBPfraction4, addToComponentNames, allowPhaseShift, allowPhaseShift, autoSelectMixingRule, autoSelectModel, calc_x_y, calc_x_y_nonorm, calcHenrysConstant, calcInterfaceProperties, calcKIJ, calculateDensityFromBoilingPoint, calculateMolarMassFromDensityAndBoilingPoint, changeComponentName, checkStability, checkStability, chemicalReactionInit, clearAll, createDatabase, createTable, deleteFluidPhase, display, doEnhancedMultiPhaseCheck, doMultiPhaseCheck, doSolidPhaseCheck, getAntoineVaporPressure, getBeta, getBeta, getCapeOpenProperties10, getCapeOpenProperties11, getCASNumbers, getCharacterization, getChemicalReactionOperations, getCompFormulaes, getCompIDs, getCompNames, getComponentNameTag, getCorrectedVolume, getCorrectedVolumeFraction, getCp, getCp, getCv, getCv, getDensity, getDensity, getdPdVtn, getdVdPtn, getdVdTpn, getEmptySystemClone, getEnthalpy, getEnthalpy, getEntropy, getEntropy, getExergy, getExergy, getFlowRate, getFluidInfo, getFluidName, getGamma, getGasPhase, getGibbsEnergy, getHeatOfVaporization, getHelmholtzEnergy, getHydrateCheck, getIdealLiquidDensity, getInterfacialTension, getInterfacialTension, getInterfacialTension, getInternalEnergy, getInternalEnergy, getInterphaseProperties, getJouleThomsonCoefficient, getJouleThomsonCoefficient, getKappa, getKinematicViscosity, getKinematicViscosity, getKvector, getLiquidPhase, getLiquidVolume, getLowestGibbsEnergyPhase, getMass, getMaxNumberOfPhases, getMixingRule, getMixingRuleName, getModelName, getMolarComposition, getMolarMass, getMolarMass, getMolarRate, getMolarVolume, getMolarVolume, getMolecularWeights, getMoleFraction, getMoleFractionsSum, getNormalBoilingPointTemperatures, getNumberOfComponents, getNumberOfOilFractionComponents, getNumberOfPhases, getOilAssayCharacterisation, getOilFractionIDs, getOilFractionLiquidDensityAt25C, getOilFractionMolecularMass, getOilFractionNormalBoilingPoints, getPC, getPhase, getPhase, getPhase, getPhaseFraction, getPhaseIndex, getPhaseIndex, getPhaseIndex, getPhaseNumberOfPhase, getPhaseOfType, getPhases, getPressure, getPressure, getPressure, getProperties, getProperty, getProperty, getProperty, getResultTable, getSoundSpeed, getSoundSpeed, getStandard, getStandard, getSumBeta, getTC, getTemperature, getTemperature, getTemperature, getThermalConductivity, getThermalConductivity, getTotalNumberOfMoles, getViscosity, getViscosity, getVolume, getVolume, getVolumeFraction, getWaxCharacterisation, getWaxModel, getWeightBasedComposition, getWtFraction, getZ, getzvector, getZvolcorr, hasPhaseType, hasPlusFraction, hasTBPFraction, init, init, init_x_y, initAnalytic, initAnalytic, initBeta, initNumeric, initNumeric, initNumeric, initPhysicalProperties, initPhysicalProperties, initRefPhases, initTotalNumberOfMoles, invertPhaseTypes, isBetaValid, isChemicalSystem, isChemicalSystem, isForcePhaseTypes, isImplementedCompositionDeriativesofFugacity, isImplementedCompositionDeriativesofFugacity, isImplementedPressureDeriativesofFugacity, isImplementedTemperatureDeriativesofFugacity, isInitialized, isMultiphaseWaxCheck, isNumericDerivatives, isPhase, normalizeBeta, orderByDensity, phaseToSystem, phaseToSystem, phaseToSystem, phaseToSystem, readFluid, readObject, readObjectFromFile, reInitPhaseInformation, reInitPhaseType, removeComponent, removePhase, removePhaseKeepTotalComposition, renameComponent, replacePhase, reset, reset_x_y, resetCharacterisation, resetDatabase, resetPhysicalProperties, save, saveFluid, saveFluid, saveObject, saveObjectToFile, saveToDataBase, setAllComponentsInPhase, setAllPhaseType, setAttractiveTerm, setBeta, setBeta, setBinaryInteractionParameter, setBinaryInteractionParameter, setBmixType, setComponentCriticalParameters, setComponentCriticalParameters, setComponentFlowRates, setComponentNames, setComponentNameTag, setComponentNameTagOnNormalComponents, setComponentVolumeCorrection, setComponentVolumeCorrection, setEmptyFluid, setEnhancedMultiPhaseCheck, setFluidInfo, setFluidName, setForcePhaseTypes, setForceSinglePhase, setForceSinglePhase, setHeavyTBPfractionAsPlusFraction, setHydrateCheck, setImplementedCompositionDeriativesofFugacity, setImplementedPressureDeriativesofFugacity, setImplementedTemperatureDeriativesofFugacity, setLastTBPasPlus, setMaxNumberOfPhases, setMixingRule, setMixingRule, setMixingRuleGEmodel, setMixingRuleParametersForComponent, setModel, setModelName, setMolarComposition, setMolarCompositionOfNamedComponents, setMolarCompositionOfPlusFluid, setMolarCompositionPlus, setMolarFlowRates, setMultiPhaseCheck, setMultiphaseWaxCheck, setNumberOfPhases, setNumericDerivatives, setPC, setPhase, setPhaseIndex, setPhaseType, setPhaseType, setPressure, setPressure, setSolidPhaseCheck, setSolidPhaseCheck, setStandard, setTC, setTemperature, setTemperature, setTemperature, setTotalFlowRate, setTotalNumberOfMoles, setUseTVasIndependentVariables, setWaxModelType, toCompJson, toJson, tuneModel, useTVasIndependentVariables, useVolumeCorrection, write, write

Methods inherited from class Object

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

Methods inherited from interface SystemInterface

addComponent, addComponents, addComponents, calcResultTable, display, getComponent, getComponent, getComponentNames, getDensityAtReferenceConditions, getGamma2, getHydrateFraction, getHydratePhase, getNumberOfMoles, getpH, getPhaseNumberOfPhase, hasComponent, hasComponent, hashCode, hasHydratePhase, hasIons, hasPhaseType, hasSolidPhase, initPhysicalProperties, initProperties, initThermoProperties, prettyPrint, setLiquidDensityModel, setLiquidDensityModel, setMixingRule, setMixingRule, setPhysicalPropertyModel, setPhysicalPropertyModel, validateSetup

Field Details

serialVersionUID

private static final long serialVersionUID

Serialization version UID.

See Also:

• Constant Field Values

Constructor Details

SystemElectrolyteCPAAdvanced

public SystemElectrolyteCPAAdvanced()

Constructor for SystemElectrolyteCPAAdvanced with default conditions (298.15 K, 1 bara).

SystemElectrolyteCPAAdvanced

public SystemElectrolyteCPAAdvanced(double T,
 double P)

Constructor for SystemElectrolyteCPAAdvanced.

Parameters:

T - the temperature in Kelvin

P - the pressure in bara (absolute pressure)

Method Details

clone

public SystemElectrolyteCPAAdvanced clone()

clone.

Specified by:

clone in interface SystemInterface

Overrides:

clone in class SystemFurstElectrolyteEos

Returns:

a SystemInterface object