GibbsExcessVPSSTP Class Reference

#include <GibbsExcessVPSSTP.h>

Inheritance diagram for GibbsExcessVPSSTP:

Collaboration diagram for GibbsExcessVPSSTP:

Public Member Functions
Constructors
	GibbsExcessVPSSTP ()
	GibbsExcessVPSSTP (const GibbsExcessVPSSTP &b)
GibbsExcessVPSSTP &	operator= (const GibbsExcessVPSSTP &b)
virtual ThermoPhase *	duplMyselfAsThermoPhase () const
	Duplication routine for objects which inherit from ThermoPhase. More...
Activities, Standard States, and Activity Concentrations
The activity \(a_k\) of a species in solution is related to the chemical potential by \[ \mu_k = \mu_k^0(T) + \hat R T \log a_k. \] The quantity \(\mu_k^0(T,P)\) is the chemical potential at unit activity, which depends only on temperature and pressure.
virtual void	getActivityConcentrations (doublereal *c) const
	This method returns an array of generalized concentrations. More...
virtual doublereal	standardConcentration (size_t k=0) const
	The standard concentration \( C^0_k \) used to normalize the generalized concentration. More...
virtual doublereal	logStandardConc (size_t k=0) const
	Natural logarithm of the standard concentration of the kth species. More...
virtual void	getActivities (doublereal *ac) const
	Get the array of non-dimensional activities (molality based for this class and classes that derive from it) at the current solution temperature, pressure, and solution concentration. More...
virtual void	getActivityCoefficients (doublereal *ac) const
	Get the array of non-dimensional molar-based activity coefficients at the current solution temperature, pressure, and solution concentration. More...
virtual void	getdlnActCoeffdT (doublereal *dlnActCoeffdT) const
	Get the array of temperature derivatives of the log activity coefficients. More...
virtual void	getdlnActCoeffdlnN (const size_t ld, doublereal *const dlnActCoeffdlnN)
	Get the array of derivatives of the log activity coefficients with respect to the log of the species mole numbers. More...
virtual void	getdlnActCoeffdlnX (doublereal *dlnActCoeffdlnX) const
	Get the array of log concentration-like derivatives of the log activity coefficients. More...
Public Member Functions inherited from VPStandardStateTP
	VPStandardStateTP ()
	Constructor. More...
	VPStandardStateTP (const VPStandardStateTP &b)
VPStandardStateTP &	operator= (const VPStandardStateTP &b)
virtual int	standardStateConvention () const
	This method returns the convention used in specification of the standard state, of which there are currently two, temperature based, and variable pressure based. More...
virtual void	getdlnActCoeffdlnN_diag (doublereal *dlnActCoeffdlnN_diag) const
	Get the array of log species mole number derivatives of the log activity coefficients. More...
virtual void	getChemPotentials_RT (doublereal *mu) const
	Get the array of non-dimensional species chemical potentials. More...
virtual void	getStandardChemPotentials (doublereal *mu) const
	Get the array of chemical potentials at unit activity for the species at their standard states at the current T and P of the solution. More...
virtual void	getEnthalpy_RT (doublereal *hrt) const
	Get the nondimensional Enthalpy functions for the species at their standard states at the current T and P of the solution. More...
virtual void	getEntropy_R (doublereal *sr) const
	Get the array of nondimensional Entropy functions for the standard state species at the current T and P of the solution. More...
virtual void	getGibbs_RT (doublereal *grt) const
	Get the nondimensional Gibbs functions for the species in their standard states at the current T and P of the solution. More...
virtual void	getPureGibbs (doublereal *gpure) const
	Get the Gibbs functions for the standard state of the species at the current T and P of the solution. More...
virtual void	getIntEnergy_RT (doublereal *urt) const
	Returns the vector of nondimensional Internal Energies of the standard state species at the current T and P of the solution. More...
virtual void	getCp_R (doublereal *cpr) const
	Get the nondimensional Heat Capacities at constant pressure for the species standard states at the current T and P of the solution. More...
virtual void	getStandardVolumes (doublereal *vol) const
	Get the molar volumes of the species standard states at the current T and P of the solution. More...
virtual const vector_fp &	getStandardVolumes () const
virtual void	setTemperature (const doublereal temp)
	Set the temperature of the phase. More...
virtual void	setPressure (doublereal p)
	Set the internally stored pressure (Pa) at constant temperature and composition. More...
virtual void	setState_TP (doublereal T, doublereal pres)
	Set the temperature and pressure at the same time. More...
virtual doublereal	pressure () const
	Returns the current pressure of the phase. More...
virtual void	updateStandardStateThermo () const
	Updates the standard state thermodynamic functions at the current T and P of the solution. More...
virtual void	initThermo ()
virtual void	initThermoXML (XML_Node &phaseNode, const std::string &id)
	Import and initialize a ThermoPhase object using an XML tree. More...
void	setVPSSMgr (VPSSMgr *vp_ptr)
	set the VPSS Mgr More...
VPSSMgr *	provideVPSSMgr ()
	Return a pointer to the VPSSMgr for this phase. More...
void	createInstallPDSS (size_t k, const XML_Node &s, const XML_Node *phaseNode_ptr)
PDSS *	providePDSS (size_t k)
const PDSS *	providePDSS (size_t k) const
virtual bool	addSpecies (shared_ptr< Species > spec)
	Add a Species to this Phase. More...
virtual void	getEnthalpy_RT_ref (doublereal *hrt) const
virtual void	getGibbs_RT_ref (doublereal *grt) const
	Returns the vector of nondimensional Gibbs Free Energies of the reference state at the current temperature of the solution and the reference pressure for the species. More...
virtual void	getGibbs_ref (doublereal *g) const
	Returns the vector of the Gibbs function of the reference state at the current temperature of the solution and the reference pressure for the species. More...
virtual void	getEntropy_R_ref (doublereal *er) const
	Returns the vector of nondimensional entropies of the reference state at the current temperature of the solution and the reference pressure for each species. More...
virtual void	getCp_R_ref (doublereal *cprt) const
	Returns the vector of nondimensional constant pressure heat capacities of the reference state at the current temperature of the solution and reference pressure for each species. More...
virtual void	getStandardVolumes_ref (doublereal *vol) const
	Get the molar volumes of the species reference states at the current T and P_ref of the solution. More...
Public Member Functions inherited from ThermoPhase
	ThermoPhase ()
	Constructor. More...
	ThermoPhase (const ThermoPhase &right)
ThermoPhase &	operator= (const ThermoPhase &right)
doublereal	_RT () const
	Return the Gas Constant multiplied by the current temperature. More...
doublereal	RT () const
	Return the Gas Constant multiplied by the current temperature. More...
virtual int	eosType () const
	Equation of state type flag. More...
virtual std::string	type () const
	String indicating the thermodynamic model implemented. More...
virtual doublereal	refPressure () const
	Returns the reference pressure in Pa. More...
virtual doublereal	minTemp (size_t k=npos) const
	Minimum temperature for which the thermodynamic data for the species or phase are valid. More...
doublereal	Hf298SS (const size_t k) const
	Report the 298 K Heat of Formation of the standard state of one species (J kmol-1) More...
virtual void	modifyOneHf298SS (const size_t k, const doublereal Hf298New)
	Modify the value of the 298 K Heat of Formation of one species in the phase (J kmol-1) More...
virtual void	resetHf298 (const size_t k=npos)
	Restore the original heat of formation of one or more species. More...
virtual doublereal	maxTemp (size_t k=npos) const
	Maximum temperature for which the thermodynamic data for the species are valid. More...
bool	chargeNeutralityNecessary () const
	Returns the chargeNeutralityNecessity boolean. More...
virtual doublereal	enthalpy_mole () const
	Molar enthalpy. Units: J/kmol. More...
virtual doublereal	intEnergy_mole () const
	Molar internal energy. Units: J/kmol. More...
virtual doublereal	entropy_mole () const
	Molar entropy. Units: J/kmol/K. More...
virtual doublereal	gibbs_mole () const
	Molar Gibbs function. Units: J/kmol. More...
virtual doublereal	cp_mole () const
	Molar heat capacity at constant pressure. Units: J/kmol/K. More...
virtual doublereal	cv_mole () const
	Molar heat capacity at constant volume. Units: J/kmol/K. More...
virtual doublereal	isothermalCompressibility () const
	Returns the isothermal compressibility. Units: 1/Pa. More...
virtual doublereal	thermalExpansionCoeff () const
	Return the volumetric thermal expansion coefficient. Units: 1/K. More...
void	setElectricPotential (doublereal v)
	Set the electric potential of this phase (V). More...
doublereal	electricPotential () const
	Returns the electric potential of this phase (V). More...
virtual int	activityConvention () const
	This method returns the convention used in specification of the activities, of which there are currently two, molar- and molality-based conventions. More...
virtual void	getLnActivityCoefficients (doublereal *lnac) const
	Get the array of non-dimensional molar-based ln activity coefficients at the current solution temperature, pressure, and solution concentration. More...
virtual void	getChemPotentials (doublereal *mu) const
	Get the species chemical potentials. Units: J/kmol. More...
void	getElectrochemPotentials (doublereal *mu) const
	Get the species electrochemical potentials. More...
virtual void	getPartialMolarEnthalpies (doublereal *hbar) const
	Returns an array of partial molar enthalpies for the species in the mixture. More...
virtual void	getPartialMolarEntropies (doublereal *sbar) const
	Returns an array of partial molar entropies of the species in the solution. More...
virtual void	getPartialMolarIntEnergies (doublereal *ubar) const
	Return an array of partial molar internal energies for the species in the mixture. More...
virtual void	getPartialMolarCp (doublereal *cpbar) const
	Return an array of partial molar heat capacities for the species in the mixture. More...
virtual void	getIntEnergy_RT_ref (doublereal *urt) const
	Returns the vector of nondimensional internal Energies of the reference state at the current temperature of the solution and the reference pressure for each species. More...
virtual void	setReferenceComposition (const doublereal *const x)
	Sets the reference composition. More...
virtual void	getReferenceComposition (doublereal *const x) const
	Gets the reference composition. More...
doublereal	enthalpy_mass () const
	Specific enthalpy. Units: J/kg. More...
doublereal	intEnergy_mass () const
	Specific internal energy. Units: J/kg. More...
doublereal	entropy_mass () const
	Specific entropy. Units: J/kg/K. More...
doublereal	gibbs_mass () const
	Specific Gibbs function. Units: J/kg. More...
doublereal	cp_mass () const
	Specific heat at constant pressure. Units: J/kg/K. More...
doublereal	cv_mass () const
	Specific heat at constant volume. Units: J/kg/K. More...
virtual void	setState_TPX (doublereal t, doublereal p, const doublereal *x)
	Set the temperature (K), pressure (Pa), and mole fractions. More...
virtual void	setState_TPX (doublereal t, doublereal p, const compositionMap &x)
	Set the temperature (K), pressure (Pa), and mole fractions. More...
virtual void	setState_TPX (doublereal t, doublereal p, const std::string &x)
	Set the temperature (K), pressure (Pa), and mole fractions. More...
virtual void	setState_TPY (doublereal t, doublereal p, const doublereal *y)
	Set the internally stored temperature (K), pressure (Pa), and mass fractions of the phase. More...
virtual void	setState_TPY (doublereal t, doublereal p, const compositionMap &y)
	Set the internally stored temperature (K), pressure (Pa), and mass fractions of the phase. More...
virtual void	setState_TPY (doublereal t, doublereal p, const std::string &y)
	Set the internally stored temperature (K), pressure (Pa), and mass fractions of the phase. More...
virtual void	setState_PX (doublereal p, doublereal *x)
	Set the pressure (Pa) and mole fractions. More...
virtual void	setState_PY (doublereal p, doublereal *y)
	Set the internally stored pressure (Pa) and mass fractions. More...
virtual void	setState_HP (double h, double p, double tol=1e-9)
	Set the internally stored specific enthalpy (J/kg) and pressure (Pa) of the phase. More...
virtual void	setState_UV (double u, double v, double tol=1e-9)
	Set the specific internal energy (J/kg) and specific volume (m^3/kg). More...
virtual void	setState_SP (double s, double p, double tol=1e-9)
	Set the specific entropy (J/kg/K) and pressure (Pa). More...
virtual void	setState_SV (double s, double v, double tol=1e-9)
	Set the specific entropy (J/kg/K) and specific volume (m^3/kg). More...
virtual void	setState_ST (double s, double t, double tol=1e-9)
	Set the specific entropy (J/kg/K) and temperature (K). More...
virtual void	setState_TV (double t, double v, double tol=1e-9)
	Set the temperature (K) and specific volume (m^3/kg). More...
virtual void	setState_PV (double p, double v, double tol=1e-9)
	Set the pressure (Pa) and specific volume (m^3/kg). More...
virtual void	setState_UP (double u, double p, double tol=1e-9)
	Set the specific internal energy (J/kg) and pressure (Pa). More...
virtual void	setState_VH (double v, double h, double tol=1e-9)
	Set the specific volume (m^3/kg) and the specific enthalpy (J/kg) More...
virtual void	setState_TH (double t, double h, double tol=1e-9)
	Set the temperature (K) and the specific enthalpy (J/kg) More...
virtual void	setState_SH (double s, double h, double tol=1e-9)
	Set the specific entropy (J/kg/K) and the specific enthalpy (J/kg) More...
virtual void	setState_RP (doublereal rho, doublereal p)
	Set the density (kg/m**3) and pressure (Pa) at constant composition. More...
virtual void	setState_RPX (doublereal rho, doublereal p, const doublereal *x)
	Set the density (kg/m**3), pressure (Pa) and mole fractions. More...
virtual void	setState_RPX (doublereal rho, doublereal p, const compositionMap &x)
	Set the density (kg/m**3), pressure (Pa) and mole fractions. More...
virtual void	setState_RPX (doublereal rho, doublereal p, const std::string &x)
	Set the density (kg/m**3), pressure (Pa) and mole fractions. More...
virtual void	setState_RPY (doublereal rho, doublereal p, const doublereal *y)
	Set the density (kg/m**3), pressure (Pa) and mass fractions. More...
virtual void	setState_RPY (doublereal rho, doublereal p, const compositionMap &y)
	Set the density (kg/m**3), pressure (Pa) and mass fractions. More...
virtual void	setState_RPY (doublereal rho, doublereal p, const std::string &y)
	Set the density (kg/m**3), pressure (Pa) and mass fractions. More...
void	equilibrate (const std::string &XY, const std::string &solver="auto", double rtol=1e-9, int max_steps=50000, int max_iter=100, int estimate_equil=0, int log_level=0)
	Equilibrate a ThermoPhase object. More...
virtual void	setToEquilState (const doublereal *lambda_RT)
	This method is used by the ChemEquil equilibrium solver. More...
void	setElementPotentials (const vector_fp &lambda)
	Stores the element potentials in the ThermoPhase object. More...
bool	getElementPotentials (doublereal *lambda) const
	Returns the element potentials stored in the ThermoPhase object. More...
virtual bool	compatibleWithMultiPhase () const
	Indicates whether this phase type can be used with class MultiPhase for equilibrium calculations. More...
virtual doublereal	critTemperature () const
	Critical temperature (K). More...
virtual doublereal	critPressure () const
	Critical pressure (Pa). More...
virtual doublereal	critVolume () const
	Critical volume (m3/kmol). More...
virtual doublereal	critCompressibility () const
	Critical compressibility (unitless). More...
virtual doublereal	critDensity () const
	Critical density (kg/m3). More...
virtual doublereal	satTemperature (doublereal p) const
	Return the saturation temperature given the pressure. More...
virtual doublereal	satPressure (doublereal t)
	Return the saturation pressure given the temperature. More...
virtual doublereal	vaporFraction () const
	Return the fraction of vapor at the current conditions. More...
virtual void	setState_Tsat (doublereal t, doublereal x)
	Set the state to a saturated system at a particular temperature. More...
virtual void	setState_Psat (doublereal p, doublereal x)
	Set the state to a saturated system at a particular pressure. More...
virtual void	modifySpecies (size_t k, shared_ptr< Species > spec)
	Modify the thermodynamic data associated with a species. More...
void	saveSpeciesData (const size_t k, const XML_Node *const data)
	Store a reference pointer to the XML tree containing the species data for this phase. More...
const std::vector< const XML_Node * > &	speciesData () const
	Return a pointer to the vector of XML nodes containing the species data for this phase. More...
void	setSpeciesThermo (MultiSpeciesThermo *spthermo)
	Install a species thermodynamic property manager. More...
virtual MultiSpeciesThermo &	speciesThermo (int k=-1)
	Return a changeable reference to the calculation manager for species reference-state thermodynamic properties. More...
virtual void	initThermoFile (const std::string &inputFile, const std::string &id)
virtual void	installSlavePhases (XML_Node *phaseNode)
	Add in species from Slave phases. More...
virtual void	setParameters (int n, doublereal *const c)
	Set the equation of state parameters. More...
virtual void	getParameters (int &n, doublereal *const c) const
	Get the equation of state parameters in a vector. More...
virtual void	setParametersFromXML (const XML_Node &eosdata)
	Set equation of state parameter values from XML entries. More...
virtual void	setStateFromXML (const XML_Node &state)
	Set the initial state of the phase to the conditions specified in the state XML element. More...
virtual void	getdlnActCoeffds (const doublereal dTds, const doublereal *const dXds, doublereal *dlnActCoeffds) const
	Get the change in activity coefficients wrt changes in state (temp, mole fraction, etc) along a line in parameter space or along a line in physical space. More...
virtual void	getdlnActCoeffdlnX_diag (doublereal *dlnActCoeffdlnX_diag) const
	Get the array of ln mole fraction derivatives of the log activity coefficients - diagonal component only. More...
virtual void	getdlnActCoeffdlnN_numderiv (const size_t ld, doublereal *const dlnActCoeffdlnN)
virtual std::string	report (bool show_thermo=true, doublereal threshold=-1e-14) const
	returns a summary of the state of the phase as a string More...
virtual void	reportCSV (std::ofstream &csvFile) const
	returns a summary of the state of the phase to a comma separated file. More...
Public Member Functions inherited from Phase
	Phase ()
	Default constructor. More...
	Phase (const Phase &right)
Phase &	operator= (const Phase &right)
XML_Node &	xml () const
	Returns a const reference to the XML_Node that describes the phase. More...
void	setXMLdata (XML_Node &xmlPhase)
	Stores the XML tree information for the current phase. More...
void	saveState (vector_fp &state) const
	Save the current internal state of the phase. More...
void	saveState (size_t lenstate, doublereal *state) const
	Write to array 'state' the current internal state. More...
void	restoreState (const vector_fp &state)
	Restore a state saved on a previous call to saveState. More...
void	restoreState (size_t lenstate, const doublereal *state)
	Restore the state of the phase from a previously saved state vector. More...
doublereal	molecularWeight (size_t k) const
	Molecular weight of species k. More...
void	getMolecularWeights (vector_fp &weights) const
	Copy the vector of molecular weights into vector weights. More...
void	getMolecularWeights (doublereal *weights) const
	Copy the vector of molecular weights into array weights. More...
const vector_fp &	molecularWeights () const
	Return a const reference to the internal vector of molecular weights. More...
doublereal	size (size_t k) const
	This routine returns the size of species k. More...
doublereal	charge (size_t k) const
	Dimensionless electrical charge of a single molecule of species k The charge is normalized by the the magnitude of the electron charge. More...
doublereal	chargeDensity () const
	Charge density [C/m^3]. More...
size_t	nDim () const
	Returns the number of spatial dimensions (1, 2, or 3) More...
void	setNDim (size_t ndim)
	Set the number of spatial dimensions (1, 2, or 3). More...
virtual bool	ready () const
	Returns a bool indicating whether the object is ready for use. More...
int	stateMFNumber () const
	Return the State Mole Fraction Number. More...
std::string	id () const
	Return the string id for the phase. More...
void	setID (const std::string &id)
	Set the string id for the phase. More...
std::string	name () const
	Return the name of the phase. More...
void	setName (const std::string &nm)
	Sets the string name for the phase. More...
std::string	elementName (size_t m) const
	Name of the element with index m. More...
size_t	elementIndex (const std::string &name) const
	Return the index of element named 'name'. More...
const std::vector< std::string > &	elementNames () const
	Return a read-only reference to the vector of element names. More...
doublereal	atomicWeight (size_t m) const
	Atomic weight of element m. More...
doublereal	entropyElement298 (size_t m) const
	Entropy of the element in its standard state at 298 K and 1 bar. More...
int	atomicNumber (size_t m) const
	Atomic number of element m. More...
int	elementType (size_t m) const
	Return the element constraint type Possible types include: More...
int	changeElementType (int m, int elem_type)
	Change the element type of the mth constraint Reassigns an element type. More...
const vector_fp &	atomicWeights () const
	Return a read-only reference to the vector of atomic weights. More...
size_t	nElements () const
	Number of elements. More...
void	checkElementIndex (size_t m) const
	Check that the specified element index is in range. More...
void	checkElementArraySize (size_t mm) const
	Check that an array size is at least nElements(). More...
doublereal	nAtoms (size_t k, size_t m) const
	Number of atoms of element m in species k. More...
void	getAtoms (size_t k, double *atomArray) const
	Get a vector containing the atomic composition of species k. More...
size_t	speciesIndex (const std::string &name) const
	Returns the index of a species named 'name' within the Phase object. More...
std::string	speciesName (size_t k) const
	Name of the species with index k. More...
std::string	speciesSPName (int k) const
	Returns the expanded species name of a species, including the phase name This is guaranteed to be unique within a Cantera problem. More...
const std::vector< std::string > &	speciesNames () const
	Return a const reference to the vector of species names. More...
size_t	nSpecies () const
	Returns the number of species in the phase. More...
void	checkSpeciesIndex (size_t k) const
	Check that the specified species index is in range. More...
void	checkSpeciesArraySize (size_t kk) const
	Check that an array size is at least nSpecies(). More...
void	setMoleFractionsByName (const compositionMap &xMap)
	Set the species mole fractions by name. More...
void	setMoleFractionsByName (const std::string &x)
	Set the mole fractions of a group of species by name. More...
void	setMassFractionsByName (const compositionMap &yMap)
	Set the species mass fractions by name. More...
void	setMassFractionsByName (const std::string &x)
	Set the species mass fractions by name. More...
void	setState_TRX (doublereal t, doublereal dens, const doublereal *x)
	Set the internally stored temperature (K), density, and mole fractions. More...
void	setState_TRX (doublereal t, doublereal dens, const compositionMap &x)
	Set the internally stored temperature (K), density, and mole fractions. More...
void	setState_TRY (doublereal t, doublereal dens, const doublereal *y)
	Set the internally stored temperature (K), density, and mass fractions. More...
void	setState_TRY (doublereal t, doublereal dens, const compositionMap &y)
	Set the internally stored temperature (K), density, and mass fractions. More...
void	setState_TNX (doublereal t, doublereal n, const doublereal *x)
	Set the internally stored temperature (K), molar density (kmol/m^3), and mole fractions. More...
void	setState_TR (doublereal t, doublereal rho)
	Set the internally stored temperature (K) and density (kg/m^3) More...
void	setState_TX (doublereal t, doublereal *x)
	Set the internally stored temperature (K) and mole fractions. More...
void	setState_TY (doublereal t, doublereal *y)
	Set the internally stored temperature (K) and mass fractions. More...
void	setState_RX (doublereal rho, doublereal *x)
	Set the density (kg/m^3) and mole fractions. More...
void	setState_RY (doublereal rho, doublereal *y)
	Set the density (kg/m^3) and mass fractions. More...
compositionMap	getMoleFractionsByName (double threshold=0.0) const
	Get the mole fractions by name. More...
doublereal	moleFraction (size_t k) const
	Return the mole fraction of a single species. More...
doublereal	moleFraction (const std::string &name) const
	Return the mole fraction of a single species. More...
compositionMap	getMassFractionsByName (double threshold=0.0) const
	Get the mass fractions by name. More...
doublereal	massFraction (size_t k) const
	Return the mass fraction of a single species. More...
doublereal	massFraction (const std::string &name) const
	Return the mass fraction of a single species. More...
void	getMoleFractions (doublereal *const x) const
	Get the species mole fraction vector. More...
virtual void	setMoleFractions (const doublereal *const x)
	Set the mole fractions to the specified values. More...
virtual void	setMoleFractions_NoNorm (const doublereal *const x)
	Set the mole fractions to the specified values without normalizing. More...
void	getMassFractions (doublereal *const y) const
	Get the species mass fractions. More...
const doublereal *	massFractions () const
	Return a const pointer to the mass fraction array. More...
virtual void	setMassFractions (const doublereal *const y)
	Set the mass fractions to the specified values and normalize them. More...
virtual void	setMassFractions_NoNorm (const doublereal *const y)
	Set the mass fractions to the specified values without normalizing. More...
void	getConcentrations (doublereal *const c) const
	Get the species concentrations (kmol/m^3). More...
doublereal	concentration (const size_t k) const
	Concentration of species k. More...
virtual void	setConcentrations (const doublereal *const conc)
	Set the concentrations to the specified values within the phase. More...
virtual void	setConcentrationsNoNorm (const double *const conc)
	Set the concentrations without ignoring negative concentrations. More...
doublereal	elementalMassFraction (const size_t m) const
	Elemental mass fraction of element m. More...
doublereal	elementalMoleFraction (const size_t m) const
	Elemental mole fraction of element m. More...
const doublereal *	moleFractdivMMW () const
	Returns a const pointer to the start of the moleFraction/MW array. More...
doublereal	temperature () const
	Temperature (K). More...
virtual doublereal	density () const
	Density (kg/m^3). More...
doublereal	molarDensity () const
	Molar density (kmol/m^3). More...
doublereal	molarVolume () const
	Molar volume (m^3/kmol). More...
virtual void	setDensity (const doublereal density_)
	Set the internally stored density (kg/m^3) of the phase. More...
virtual void	setMolarDensity (const doublereal molarDensity)
	Set the internally stored molar density (kmol/m^3) of the phase. More...
doublereal	mean_X (const doublereal *const Q) const
	Evaluate the mole-fraction-weighted mean of an array Q. More...
doublereal	mean_X (const vector_fp &Q) const
	Evaluate the mole-fraction-weighted mean of an array Q. More...
doublereal	meanMolecularWeight () const
	The mean molecular weight. Units: (kg/kmol) More...
doublereal	sum_xlogx () const
	Evaluate \( \sum_k X_k \log X_k \). More...
size_t	addElement (const std::string &symbol, doublereal weight=-12345.0, int atomicNumber=0, doublereal entropy298=ENTROPY298_UNKNOWN, int elem_type=CT_ELEM_TYPE_ABSPOS)
	Add an element. More...
shared_ptr< Species >	species (const std::string &name) const
	Return the Species object for the named species. More...
shared_ptr< Species >	species (size_t k) const
	Return the Species object for species whose index is k. More...
void	ignoreUndefinedElements ()
	Set behavior when adding a species containing undefined elements to just skip the species. More...
void	addUndefinedElements ()
	Set behavior when adding a species containing undefined elements to add those elements to the phase. More...
void	throwUndefinedElements ()
	Set the behavior when adding a species containing undefined elements to throw an exception. More...

Protected Member Functions
Mechanical Properties
void	calcDensity ()
	Calculate the density of the mixture using the partial molar volumes and mole fractions as input. More...
Protected Member Functions inherited from VPStandardStateTP
virtual void	_updateStandardStateThermo () const
	Updates the standard state thermodynamic functions at the current T and P of the solution. More...
virtual void	invalidateCache ()
	Invalidate any cached values which are normally updated only when a change in state is detected. More...
const vector_fp &	Gibbs_RT_ref () const
Protected Member Functions inherited from ThermoPhase
virtual void	getCsvReportData (std::vector< std::string > &names, std::vector< vector_fp > &data) const
	Fills names and data with the column names and species thermo properties to be included in the output of the reportCSV method. More...
Protected Member Functions inherited from Phase
void	setMolecularWeight (const int k, const double mw)
	Set the molecular weight of a single species to a given value. More...

Partial Molar Properties of the Solution
vector_fp	moleFractions_
	Storage for the current values of the mole fractions of the species. More...
vector_fp	lnActCoeff_Scaled_
	Storage for the current values of the activity coefficients of the species. More...
vector_fp	dlnActCoeffdT_Scaled_
	Storage for the current derivative values of the gradients with respect to temperature of the log of the activity coefficients of the species. More...
vector_fp	d2lnActCoeffdT2_Scaled_
	Storage for the current derivative values of the gradients with respect to temperature of the log of the activity coefficients of the species. More...
vector_fp	dlnActCoeffdlnN_diag_
	Storage for the current derivative values of the gradients with respect to logarithm of the mole fraction of the log of the activity coefficients of the species. More...
vector_fp	dlnActCoeffdlnX_diag_
	Storage for the current derivative values of the gradients with respect to logarithm of the mole fraction of the log of the activity coefficients of the species. More...
Array2D	dlnActCoeffdlnN_
	Storage for the current derivative values of the gradients with respect to logarithm of the species mole number of the log of the activity coefficients of the species. More...
virtual void	getPartialMolarVolumes (doublereal *vbar) const
	Return an array of partial molar volumes for the species in the mixture. More...
virtual const vector_fp &	getPartialMolarVolumesVector () const
virtual bool	addSpecies (shared_ptr< Species > spec)
virtual void	compositionChanged ()
	Apply changes to the state which are needed after the composition changes. More...
double	checkMFSum (const doublereal *const x) const
	utility routine to check mole fraction sum More...

Additional Inherited Members
Protected Attributes inherited from VPStandardStateTP
doublereal	m_Pcurrent
	Current value of the pressure - state variable. More...
doublereal	m_Tlast_ss
	The last temperature at which the standard statethermodynamic properties were calculated at. More...
doublereal	m_Plast_ss
	The last pressure at which the Standard State thermodynamic properties were calculated at. More...
doublereal	m_P0
std::unique_ptr< VPSSMgr >	m_VPSS_ptr
	Pointer to the VPSS manager that calculates all of the standard state info efficiently. More...
std::vector< std::unique_ptr< PDSS > >	m_PDSS_storage
	Storage for the PDSS objects for the species. More...
Protected Attributes inherited from ThermoPhase
MultiSpeciesThermo *	m_spthermo
	Pointer to the calculation manager for species reference-state thermodynamic properties. More...
std::vector< const XML_Node * >	m_speciesData
	Vector of pointers to the species databases. More...
doublereal	m_phi
	Stored value of the electric potential for this phase. Units are Volts. More...
vector_fp	m_lambdaRRT
	Vector of element potentials. Length equal to number of elements. More...
bool	m_hasElementPotentials
	Boolean indicating whether there is a valid set of saved element potentials for this phase. More...
bool	m_chargeNeutralityNecessary
	Boolean indicating whether a charge neutrality condition is a necessity. More...
int	m_ssConvention
	Contains the standard state convention. More...
vector_fp	xMol_Ref
	Reference Mole Fraction Composition. More...
doublereal	m_tlast
	last value of the temperature processed by reference state More...
Protected Attributes inherited from Phase
ValueCache	m_cache
	Cached for saved calculations within each ThermoPhase. More...
size_t	m_kk
	Number of species in the phase. More...
size_t	m_ndim
	Dimensionality of the phase. More...
vector_fp	m_speciesComp
	Atomic composition of the species. More...
vector_fp	m_speciesSize
	Vector of species sizes. More...
vector_fp	m_speciesCharge
	Vector of species charges. length m_kk. More...
std::map< std::string, shared_ptr< Species > >	m_species
UndefElement::behavior	m_undefinedElementBehavior
	Flag determining behavior when adding species with an undefined element. More...

Detailed Description

GibbsExcessVPSSTP is a derived class of ThermoPhase that handles variable pressure standard state methods for calculating thermodynamic properties that are further based on expressing the Excess Gibbs free energy as a function of the mole fractions (or pseudo mole fractions) of constituents. This category is the workhorse for describing molten salts, solid-phase mixtures of semiconductors, and mixtures of miscible and semi-miscible compounds.

It includes

• regular solutions
• Margules expansions
• NTRL equation
• Wilson's equation
• UNIQUAC equation of state.

This class adds additional functions onto the ThermoPhase interface that handles the calculation of the excess Gibbs free energy. The ThermoPhase class includes a member function, ThermoPhase::activityConvention() that indicates which convention the activities are based on. The default is to assume activities are based on the molar convention. That default is used here.

All of the Excess Gibbs free energy formulations in this area employ symmetrical formulations.

Chemical potentials of species k, \( \mu_o \), has the following general format:

\[ \mu_k = \mu^o_k(T,P) + R T ln( \gamma_k X_k ) \]

where \( \gamma_k^{\triangle} \) is a molar based activity coefficient for species \(k\).

GibbsExcessVPSSTP contains an internal vector with the current mole fraction vector. That's one of its primary usages. In order to keep the mole fraction vector constant, all of the setState functions are redesigned at this layer.

Activity Concentrations: Relationship of ThermoPhase to Kinetics Expressions

As explained in a similar discussion in the ThermoPhase class, the actual units used in kinetics expressions must be specified in the ThermoPhase class for the corresponding species. These units vary with the field of study. Cantera uses the concept of activity concentrations to represent this. Activity concentrations are used directly in the expressions for kinetics. Standard concentrations are used as the multiplicative constant that takes the activity of a species and turns it into an activity concentration. Standard concentrations must not depend on the concentration of the species in the phase.

Here we set a standard for the specification of the standard concentrations for this class and all child classes underneath it. We specify here that the standard concentration is equal to 1 for all species. Therefore, the activities appear directly in kinetics expressions involving species in underlying GibbsExcessVPSSTP phases.

SetState Strategy

All setState functions that set the internal state of the ThermoPhase object are overloaded at this level, so that a current mole fraction vector is maintained within the object.

Definition at line 84 of file GibbsExcessVPSSTP.h.

Member Function Documentation

duplMyselfAsThermoPhase()

ThermoPhase * duplMyselfAsThermoPhase ( ) const

virtual

Duplication routine for objects which inherit from ThermoPhase.

This virtual routine can be used to duplicate ThermoPhase objects inherited from ThermoPhase even if the application only has a pointer to ThermoPhase to work with.

These routines are basically wrappers around the derived copy constructor.

Deprecated:

To be removed after Cantera 2.3 for all classes derived from ThermoPhase.

Reimplemented from VPStandardStateTP.

Reimplemented in PhaseCombo_Interaction, MargulesVPSSTP, RedlichKisterVPSSTP, MixedSolventElectrolyte, IonsFromNeutralVPSSTP, and MolarityIonicVPSSTP.

Definition at line 48 of file GibbsExcessVPSSTP.cpp.

calcDensity()

void calcDensity ( )

protectedvirtual

Calculate the density of the mixture using the partial molar volumes and mole fractions as input.

The formula for this is

\[ \rho = \frac{\sum_k{X_k W_k}}{\sum_k{X_k V_k}} \]

where \(X_k\) are the mole fractions, \(W_k\) are the molecular weights, and \(V_k\) are the pure species molar volumes.

Note, the basis behind this formula is that in an ideal solution the partial molar volumes are equal to the pure species molar volumes. We have additionally specified in this class that the pure species molar volumes are independent of temperature and pressure.

NOTE: This is a non-virtual function, which is not a member of the ThermoPhase base class.

Reimplemented from VPStandardStateTP.

Reimplemented in IonsFromNeutralVPSSTP.

Definition at line 61 of file GibbsExcessVPSSTP.cpp.

getActivityConcentrations()

void getActivityConcentrations ( doublereal *  c ) const

virtual

This method returns an array of generalized concentrations.

\( C^a_k\) are defined such that \( a_k = C^a_k / C^0_k, \) where \( C^0_k \) is a standard concentration defined below and \( a_k \) are activities used in the thermodynamic functions. These activity (or generalized) concentrations are used by kinetics manager classes to compute the forward and reverse rates of elementary reactions. Note that they may or may not have units of concentration — they might be partial pressures, mole fractions, or surface coverages, for example.

Parameters

c	Output array of generalized concentrations. The units depend upon the implementation of the reaction rate expressions within the phase.

Reimplemented from ThermoPhase.

Definition at line 73 of file GibbsExcessVPSSTP.cpp.

standardConcentration()

doublereal standardConcentration ( size_t  k = 0 ) const

virtual

The standard concentration \( C^0_k \) used to normalize the generalized concentration.

In many cases, this quantity will be the same for all species in a phase - for example, for an ideal gas \( C^0_k = P/\hat R T \). For this reason, this method returns a single value, instead of an array. However, for phases in which the standard concentration is species-specific (e.g. surface species of different sizes), this method may be called with an optional parameter indicating the species.

The standard concentration for defaulted to 1. In other words the activity concentration is assumed to be 1.

Parameters

k	species index. Defaults to zero.

Reimplemented from ThermoPhase.

Definition at line 78 of file GibbsExcessVPSSTP.cpp.

logStandardConc()

doublereal logStandardConc ( size_t  k = 0 ) const

virtual

Natural logarithm of the standard concentration of the kth species.

Parameters

k	index of the species (defaults to zero)

Reimplemented from ThermoPhase.

Definition at line 83 of file GibbsExcessVPSSTP.cpp.

getActivities()

void getActivities ( doublereal *  ac ) const

virtual

Get the array of non-dimensional activities (molality based for this class and classes that derive from it) at the current solution temperature, pressure, and solution concentration.

\[ a_i^\triangle = \gamma_k^{\triangle} \frac{m_k}{m^\triangle} \]

This function must be implemented in derived classes.

Parameters

ac	Output vector of molality-based activities. Length: m_kk.

Reimplemented from ThermoPhase.

Definition at line 88 of file GibbsExcessVPSSTP.cpp.

getActivityCoefficients()

void getActivityCoefficients ( doublereal *  ac ) const

virtual

Get the array of non-dimensional molar-based activity coefficients at the current solution temperature, pressure, and solution concentration.

Parameters

ac	Output vector of activity coefficients. Length: m_kk.

Reimplemented from ThermoPhase.

Reimplemented in PhaseCombo_Interaction, MixedSolventElectrolyte, and IonsFromNeutralVPSSTP.

Definition at line 97 of file GibbsExcessVPSSTP.cpp.

getdlnActCoeffdT()

virtual void getdlnActCoeffdT ( doublereal *  dlnActCoeffdT ) const

inlinevirtual

Get the array of temperature derivatives of the log activity coefficients.

This function is virtual, and first appears in GibbsExcessVPSSTP.

units = 1/Kelvin

Parameters

dlnActCoeffdT

Output vector of temperature derivatives of the log Activity Coefficients. length = m_kk

Reimplemented in PhaseCombo_Interaction, RedlichKisterVPSSTP, MargulesVPSSTP, and MixedSolventElectrolyte.

Definition at line 182 of file GibbsExcessVPSSTP.h.

Referenced by IonsFromNeutralVPSSTP::s_update_dlnActCoeffdT().

getdlnActCoeffdlnN()

virtual void getdlnActCoeffdlnN ( const size_t  ld, doublereal *const  dlnActCoeffdlnN  )

inlinevirtual

Get the array of derivatives of the log activity coefficients with respect to the log of the species mole numbers.

Implementations should take the derivative of the logarithm of the activity coefficient with respect to a species log mole number (with all other species mole numbers held constant). The default treatment in the ThermoPhase object is to set this vector to zero.

units = 1 / kmol

dlnActCoeffdlnN[ ld * k + m] will contain the derivative of log act_coeff for the m-th species with respect to the number of moles of the k-th species.

\[ \frac{d \ln(\gamma_m) }{d \ln( n_k ) }\Bigg|_{n_i} \]

Parameters

ld	Number of rows in the matrix
dlnActCoeffdlnN	Output vector of derivatives of the log Activity Coefficients. length = m_kk * m_kk

Reimplemented from ThermoPhase.

Reimplemented in PhaseCombo_Interaction, RedlichKisterVPSSTP, MargulesVPSSTP, MixedSolventElectrolyte, and IonsFromNeutralVPSSTP.

Definition at line 186 of file GibbsExcessVPSSTP.h.

Referenced by IonsFromNeutralVPSSTP::s_update_dlnActCoeff_dlnN().

getdlnActCoeffdlnX()

virtual void getdlnActCoeffdlnX ( doublereal *  dlnActCoeffdlnX ) const

inlinevirtual

Get the array of log concentration-like derivatives of the log activity coefficients.

This function is a virtual method. For ideal mixtures (unity activity coefficients), this can return zero. Implementations should take the derivative of the logarithm of the activity coefficient with respect to the logarithm of the concentration-like variable (i.e. number of moles in in a unit volume. ) that represents the standard state. This quantity is to be used in conjunction with derivatives of that concentration-like variable when the derivative of the chemical potential is taken.

units = dimensionless

Parameters

dlnActCoeffdlnX

Output vector of derivatives of the log Activity Coefficients. length = m_kk

Definition at line 207 of file GibbsExcessVPSSTP.h.

getPartialMolarVolumes()

void getPartialMolarVolumes ( doublereal *  vbar ) const

virtual

Return an array of partial molar volumes for the species in the mixture.

Units: m^3/kmol.

Frequently, for this class of thermodynamics representations, the excess Volume due to mixing is zero. Here, we set it as a default. It may be overridden in derived classes.

Parameters

vbar	Output vector of species partial molar volumes. Length = m_kk. units are m^3/kmol.

Reimplemented from ThermoPhase.

Reimplemented in PhaseCombo_Interaction, RedlichKisterVPSSTP, MargulesVPSSTP, MixedSolventElectrolyte, and MolarityIonicVPSSTP.

Definition at line 113 of file GibbsExcessVPSSTP.cpp.

addSpecies()

bool addSpecies ( shared_ptr< Species >  spec )

virtual

The following methods are used in the process of constructing the phase and setting its parameters from a specification in an input file. They are not normally used in application programs. To see how they are used, see importPhase().

Reimplemented from VPStandardStateTP.

Definition at line 134 of file GibbsExcessVPSSTP.cpp.

compositionChanged()

void compositionChanged ( )

protectedvirtual

Apply changes to the state which are needed after the composition changes.

This function is called after any call to setMassFractions(), setMoleFractions(), or similar. For phases which need to execute a callback after any change to the composition, it should be done by overriding this function rather than overriding all of the composition- setting functions. Derived class implementations of compositionChanged() should call the parent class method as well.

Reimplemented from Phase.

Reimplemented in IonsFromNeutralVPSSTP.

Definition at line 53 of file GibbsExcessVPSSTP.cpp.

Referenced by IonsFromNeutralVPSSTP::compositionChanged().

checkMFSum()

double checkMFSum ( const doublereal *const  x ) const

protected

utility routine to check mole fraction sum

Parameters

x	vector of mole fractions.

Definition at line 124 of file GibbsExcessVPSSTP.cpp.

Member Data Documentation

moleFractions_

vector_fp moleFractions_

mutableprotected

Storage for the current values of the mole fractions of the species.

This vector is kept up-to-date when the setState functions are called. Therefore, it may be considered to be an independent variable.

Note in order to do this, the setState functions are redefined to always keep this vector current.

Definition at line 247 of file GibbsExcessVPSSTP.h.

Referenced by IonsFromNeutralVPSSTP::calcNeutralMoleculeMoleFractions(), MixedSolventElectrolyte::cp_mole(), MargulesVPSSTP::cp_mole(), RedlichKisterVPSSTP::cp_mole(), PhaseCombo_Interaction::cp_mole(), MixedSolventElectrolyte::enthalpy_mole(), MargulesVPSSTP::enthalpy_mole(), RedlichKisterVPSSTP::enthalpy_mole(), PhaseCombo_Interaction::enthalpy_mole(), MixedSolventElectrolyte::entropy_mole(), MargulesVPSSTP::entropy_mole(), RedlichKisterVPSSTP::entropy_mole(), PhaseCombo_Interaction::entropy_mole(), MolarityIonicVPSSTP::getChemPotentials(), IonsFromNeutralVPSSTP::getChemPotentials(), MixedSolventElectrolyte::getChemPotentials(), MargulesVPSSTP::getChemPotentials(), RedlichKisterVPSSTP::getChemPotentials(), PhaseCombo_Interaction::getChemPotentials(), RedlichKisterVPSSTP::getdlnActCoeffdlnN_diag(), IonsFromNeutralVPSSTP::getdlnActCoeffds(), IonsFromNeutralVPSSTP::getNeutralMoleculeMoleGrads(), IonsFromNeutralVPSSTP::getPartialMolarEntropies(), IonsFromNeutralVPSSTP::initLengths(), MargulesVPSSTP::s_update_dlnActCoeff_dT(), and RedlichKisterVPSSTP::s_update_dlnActCoeff_dT().

lnActCoeff_Scaled_

vector_fp lnActCoeff_Scaled_

mutableprotected

Storage for the current values of the activity coefficients of the species.

Definition at line 251 of file GibbsExcessVPSSTP.h.

Referenced by IonsFromNeutralVPSSTP::getActivityCoefficients(), MixedSolventElectrolyte::getActivityCoefficients(), PhaseCombo_Interaction::getActivityCoefficients(), MolarityIonicVPSSTP::getChemPotentials(), MixedSolventElectrolyte::getChemPotentials(), MargulesVPSSTP::getChemPotentials(), RedlichKisterVPSSTP::getChemPotentials(), PhaseCombo_Interaction::getChemPotentials(), MolarityIonicVPSSTP::getLnActivityCoefficients(), MargulesVPSSTP::getLnActivityCoefficients(), RedlichKisterVPSSTP::getLnActivityCoefficients(), IonsFromNeutralVPSSTP::getPartialMolarEntropies(), MolarityIonicVPSSTP::s_update_lnActCoeff(), and IonsFromNeutralVPSSTP::s_update_lnActCoeff().

dlnActCoeffdT_Scaled_

vector_fp dlnActCoeffdT_Scaled_

mutableprotected

Storage for the current derivative values of the gradients with respect to temperature of the log of the activity coefficients of the species.

Definition at line 255 of file GibbsExcessVPSSTP.h.

Referenced by RedlichKisterVPSSTP::getdlnActCoeffds(), MixedSolventElectrolyte::getdlnActCoeffdT(), MargulesVPSSTP::getdlnActCoeffdT(), RedlichKisterVPSSTP::getdlnActCoeffdT(), PhaseCombo_Interaction::getdlnActCoeffdT(), IonsFromNeutralVPSSTP::getPartialMolarEnthalpies(), MixedSolventElectrolyte::getPartialMolarEnthalpies(), MargulesVPSSTP::getPartialMolarEnthalpies(), IonsFromNeutralVPSSTP::getPartialMolarEntropies(), MargulesVPSSTP::s_update_dlnActCoeff_dT(), RedlichKisterVPSSTP::s_update_dlnActCoeff_dT(), and IonsFromNeutralVPSSTP::s_update_dlnActCoeffdT().

d2lnActCoeffdT2_Scaled_

vector_fp d2lnActCoeffdT2_Scaled_

mutableprotected

Storage for the current derivative values of the gradients with respect to temperature of the log of the activity coefficients of the species.

Definition at line 259 of file GibbsExcessVPSSTP.h.

Referenced by MixedSolventElectrolyte::getd2lnActCoeffdT2(), MargulesVPSSTP::getd2lnActCoeffdT2(), RedlichKisterVPSSTP::getd2lnActCoeffdT2(), PhaseCombo_Interaction::getd2lnActCoeffdT2(), MargulesVPSSTP::s_update_dlnActCoeff_dT(), and RedlichKisterVPSSTP::s_update_dlnActCoeff_dT().

dlnActCoeffdlnN_diag_

vector_fp dlnActCoeffdlnN_diag_

mutableprotected

Storage for the current derivative values of the gradients with respect to logarithm of the mole fraction of the log of the activity coefficients of the species.

Definition at line 264 of file GibbsExcessVPSSTP.h.

Referenced by IonsFromNeutralVPSSTP::getdlnActCoeffdlnN_diag(), MixedSolventElectrolyte::getdlnActCoeffdlnN_diag(), MargulesVPSSTP::getdlnActCoeffdlnN_diag(), PhaseCombo_Interaction::getdlnActCoeffdlnN_diag(), IonsFromNeutralVPSSTP::s_update_dlnActCoeff_dlnN(), and IonsFromNeutralVPSSTP::s_update_dlnActCoeff_dlnN_diag().

dlnActCoeffdlnX_diag_

vector_fp dlnActCoeffdlnX_diag_

mutableprotected

Storage for the current derivative values of the gradients with respect to logarithm of the mole fraction of the log of the activity coefficients of the species.

Definition at line 269 of file GibbsExcessVPSSTP.h.

Referenced by IonsFromNeutralVPSSTP::getdlnActCoeffdlnX_diag(), MixedSolventElectrolyte::getdlnActCoeffdlnX_diag(), MargulesVPSSTP::getdlnActCoeffdlnX_diag(), RedlichKisterVPSSTP::getdlnActCoeffdlnX_diag(), PhaseCombo_Interaction::getdlnActCoeffdlnX_diag(), and IonsFromNeutralVPSSTP::s_update_dlnActCoeff_dlnX_diag().

dlnActCoeffdlnN_

Array2D dlnActCoeffdlnN_

mutableprotected

Storage for the current derivative values of the gradients with respect to logarithm of the species mole number of the log of the activity coefficients of the species.

dlnActCoeffdlnN_(k, m) is the derivative of ln(gamma_k) wrt ln mole number of species m

Definition at line 278 of file GibbsExcessVPSSTP.h.

Referenced by IonsFromNeutralVPSSTP::getdlnActCoeffdlnN(), MixedSolventElectrolyte::getdlnActCoeffdlnN(), MargulesVPSSTP::getdlnActCoeffdlnN(), RedlichKisterVPSSTP::getdlnActCoeffdlnN(), PhaseCombo_Interaction::getdlnActCoeffdlnN(), MixedSolventElectrolyte::initLengths(), MargulesVPSSTP::initLengths(), RedlichKisterVPSSTP::initLengths(), PhaseCombo_Interaction::initLengths(), and IonsFromNeutralVPSSTP::s_update_dlnActCoeff_dlnN().

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The documentation for this class was generated from the following files:

• GibbsExcessVPSSTP.h
• GibbsExcessVPSSTP.cpp