Class for single-component water. More...

#include <WaterSSTP.h>

Inheritance diagram for WaterSSTP:

Collaboration diagram for WaterSSTP:

Public Member Functions
	WaterSSTP ()
	Base constructor. More...

	WaterSSTP (const WaterSSTP &)
	Copy constructor. More...

WaterSSTP &	operator= (const WaterSSTP &)
	Assignment operator. More...

	WaterSSTP (const std::string &inputFile, const std::string &id="")
	Full constructor for a water phase. More...

	WaterSSTP (XML_Node &phaseRef, const std::string &id="")
	Full constructor for a water phase. More...

virtual	~WaterSSTP ()
	Destructor. More...

ThermoPhase *	duplMyselfAsThermoPhase () const
	Duplicator from a ThermoPhase object. More...

virtual int	eosType () const
	Returns the equation of state type flag. More...

virtual doublereal	critTemperature () const
	critical temperature More...

virtual doublereal	critPressure () const
	critical pressure More...

virtual doublereal	critDensity () const
	critical density More...

virtual doublereal	satPressure (doublereal t)
	saturation pressure More...

virtual doublereal	vaporFraction () const
	Return the fraction of vapor at the current conditions. More...

virtual void	setTemperature (const doublereal temp)
	Set the temperature of the phase. More...

virtual void	setDensity (const doublereal dens)
	Set the density of the phase. More...

virtual void	initThermoXML (XML_Node &phaseNode, const std::string &id)
	Import and initialize a ThermoPhase object using an XML tree. More...

virtual void	setParametersFromXML (const XML_Node &eosdata)
	Set equation of state parameter values from XML entries. More...

WaterPropsIAPWS *	getWater ()
	Get a pointer to a changeable WaterPropsIAPWS object. More...

WaterProps *	getWaterProps ()
	Get a pointer to a changeable WaterPropsIAPWS object. More...

Molar Thermodynamic Properties of the Solution
virtual doublereal	cv_mole () const
	Molar heat capacity at constant volume. Units: J/kmol/K. More...

Mechanical Equation of State Properties
virtual doublereal	pressure () const
	Return the thermodynamic pressure (Pa). More...

virtual void	setPressure (doublereal p)
	Set the internally stored pressure (Pa) at constant temperature and composition. 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...

virtual doublereal	dthermalExpansionCoeffdT () const
	Return the derivative of the volumetric thermal expansion coefficient. Units: 1/K2. More...

Properties of the Standard State of the Species in the Solution
virtual void	getStandardChemPotentials (doublereal *gss) const
	Get the Gibbs function for the species standard states at the current T and P of the solution. More...

virtual void	getGibbs_RT (doublereal *grt) const
	Get the nondimensional Gibbs function for the species standard states at the current T and P of the solution. More...

void	getEnthalpy_RT (doublereal *hrt) const
	Get the array of nondimensional Enthalpy functions for the standard state species at the current T and P of the solution. More...

void	getEntropy_R (doublereal *sr) const
	Get the nondimensional Entropies for the species standard states at the current T and P of the solution. More...

virtual void	getCp_R (doublereal *cpr) const
	Get the nondimensional heat capacity at constant pressure function for the species standard states 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 at the current temperature and pressure of the solution for each species. More...

Thermodynamic Values for the Species Reference State
virtual void	getEnthalpy_RT_ref (doublereal *hrt) const
	Returns the vector of nondimensional enthalpies of the reference state at the current temperature of the solution and the reference pressure for the species. More...

virtual void	getGibbs_RT_ref (doublereal *grt) const

virtual void	getGibbs_ref (doublereal *g) const

virtual void	getEntropy_R_ref (doublereal *er) const

virtual void	getCp_R_ref (doublereal *cprt) const

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 SingleSpeciesTP
	SingleSpeciesTP ()
	Base empty constructor. More...

	SingleSpeciesTP (const SingleSpeciesTP &right)
	Copy constructor. More...

SingleSpeciesTP &	operator= (const SingleSpeciesTP &right)
	Assignment operator. More...

virtual void	initThermo ()

doublereal	enthalpy_mole () const
	Molar enthalpy. Units: J/kmol. More...

doublereal	intEnergy_mole () const
	Molar internal energy. Units: J/kmol. More...

doublereal	entropy_mole () const
	Molar entropy. Units: J/kmol/K. More...

doublereal	gibbs_mole () const
	Molar Gibbs function. Units: J/kmol. More...

doublereal	cp_mole () const
	Molar heat capacity at constant pressure. Units: J/kmol/K. More...

virtual void	getActivities (doublereal *a) const
	Get the array of non-dimensional activities at the current solution temperature, pressure, and solution concentration. More...

virtual void	getActivityCoefficients (doublereal *ac) const
	Get the array of non-dimensional activity coefficients at the current solution temperature, pressure, and solution concentration. More...

void	getChemPotentials_RT (doublereal *murt) const
	Get the array of non-dimensional species chemical potentials These are partial molar Gibbs free energies. More...

void	getChemPotentials (doublereal *mu) const
	Get the array of chemical potentials. More...

void	getElectrochemPotentials (doublereal *mu) const
	Get the species electrochemical potentials. Units: J/kmol. More...

void	getPartialMolarEnthalpies (doublereal *hbar) const
	Get the species partial molar enthalpies. Units: J/kmol. More...

virtual void	getPartialMolarIntEnergies (doublereal *ubar) const
	Get the species partial molar internal energies. Units: J/kmol. More...

void	getPartialMolarEntropies (doublereal *sbar) const
	Get the species partial molar entropy. Units: J/kmol K. More...

void	getPartialMolarCp (doublereal *cpbar) const
	Get the species partial molar Heat Capacities. Units: J/ kmol /K. More...

void	getPartialMolarVolumes (doublereal *vbar) const
	Get the species partial molar volumes. Units: m^3/kmol. More...

void	getPureGibbs (doublereal *gpure) const
	Get the dimensional Gibbs functions for the standard state of the species at the current T and P. More...

void	getStandardVolumes (doublereal *vbar) const
	Get the molar volumes of each species in their standard states at the current T and P of the solution. More...

void	setMassFractions (const doublereal *const y)
	Mass fractions are fixed, with Y[0] = 1.0. More...

void	setMoleFractions (const doublereal *const x)
	Mole fractions are fixed, with x[0] = 1.0. More...

virtual void	setState_HP (doublereal h, doublereal p, doublereal tol=1.e-8)
	Set the internally stored specific enthalpy (J/kg) and pressure (Pa) of the phase. More...

virtual void	setState_UV (doublereal u, doublereal v, doublereal tol=1.e-8)
	Set the specific internal energy (J/kg) and specific volume (m^3/kg). More...

virtual void	setState_SP (doublereal s, doublereal p, doublereal tol=1.e-8)
	Set the specific entropy (J/kg/K) and pressure (Pa). More...

virtual void	setState_SV (doublereal s, doublereal v, doublereal tol=1.e-8)
	Set the specific entropy (J/kg/K) and specific volume (m^3/kg). More...

Public Member Functions inherited from ThermoPhase
	ThermoPhase ()
	Constructor. More...

virtual	~ThermoPhase ()
	Destructor. Deletes the species thermo manager. More...

	ThermoPhase (const ThermoPhase &right)
	Copy Constructor for the ThermoPhase object. More...

ThermoPhase &	operator= (const ThermoPhase &right)
	Assignment operator. More...

doublereal	_RT () const
	Return the Gas Constant multiplied by the current temperature. 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 int 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 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	cv_vib (int, double) const

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 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	getActivityConcentrations (doublereal *c) const
	This method returns an array of generalized concentrations. More...

virtual doublereal	standardConcentration (size_t k=0) const
	Return the standard concentration for the kth species. More...

virtual doublereal	logStandardConc (size_t k=0) const
	Natural logarithm of the standard concentration of the kth species. More...

virtual void	getUnitsStandardConc (double *uA, int k=0, int sizeUA=6) const
	Returns the units of the standard and generalized concentrations. 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...

void	getElectrochemPotentials (doublereal *mu) const
	Get the species electrochemical potentials. More...

virtual void	getdPartialMolarVolumes_dT (doublereal *d_vbar_dT) const
	Return an array of derivatives of partial molar volumes wrt temperature for the species in the mixture. More...

virtual void	getdPartialMolarVolumes_dP (doublereal *d_vbar_dP) const
	Return an array of derivatives of partial molar volumes wrt pressure for the species in the mixture. More...

virtual void	getdStandardVolumes_dT (doublereal *d_vol_dT) const
	Get the derivative of the molar volumes of the species standard states wrt temperature at the current T and P of the solution. More...

virtual void	getdStandardVolumes_dP (doublereal *d_vol_dP) const
	Get the derivative molar volumes of the species standard states wrt pressure at the current T and P of the solution. 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. More...

doublereal	intEnergy_mass () const
	Specific internal energy. More...

doublereal	entropy_mass () const
	Specific entropy. More...

doublereal	gibbs_mass () const
	Specific Gibbs function. More...

doublereal	cp_mass () const
	Specific heat at constant pressure. More...

doublereal	cv_mass () const
	Specific heat at constant volume. 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_TP (doublereal t, doublereal p)
	Set the temperature (K) and pressure (Pa) 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...

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 doublereal	critVolume () const
	Critical volume (m3/kmol). More...

virtual doublereal	critCompressibility () const
	Critical compressibility (unitless). More...

virtual doublereal	satTemperature (doublereal p) const
	Return the saturation temperature given the pressure. 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 bool	addSpecies (shared_ptr< Species > spec)
	Add a Species to this Phase. 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 (SpeciesThermo *spthermo)
	Install a species thermodynamic property manager. More...

virtual SpeciesThermo &	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 (Cantera::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	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_diag (doublereal *dlnActCoeffdlnN_diag) const
	Get the array of log species mole number 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	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...

virtual	~Phase ()
	Destructor. More...

	Phase (const Phase &right)
	Copy Constructor. More...

Phase &	operator= (const Phase &right)
	Assignment operator. More...

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 Write to vector 'state' the current internal state. 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 Throws an exception if m is greater than nElements()-1. More...

void	checkElementArraySize (size_t mm) const
	Check that an array size is at least nElements() Throws an exception if mm is less than 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 Throws an exception if k is greater than nSpecies()-1. More...

void	checkSpeciesArraySize (size_t kk) const
	Check that an array size is at least nSpecies() Throws an exception if kk is less than 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...

void	getMoleFractionsByName (compositionMap &x) const
	Get the mole fractions by name. 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_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_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...

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	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	mean_Y (const doublereal *const Q) const
	Evaluate the mass-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...

doublereal	sum_xlogQ (doublereal *const Q) const
	Evaluate \( \sum_k X_k \log Q_k \). 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...

void	addElement (const XML_Node &e)
	Add an element from an XML specification. More...

void	addUniqueElement (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, checking for uniqueness The uniqueness is checked by comparing the string symbol. More...

void	addUniqueElement (const XML_Node &e)
	Add an element, checking for uniqueness The uniqueness is checked by comparing the string symbol. More...

void	addElementsFromXML (const XML_Node &phase)
	Add all elements referenced in an XML_Node tree. More...

void	freezeElements ()
	Prohibit addition of more elements, and prepare to add species. More...

bool	elementsFrozen ()
	True if freezeElements has been called. More...

size_t	addUniqueElementAfterFreeze (const std::string &symbol, doublereal weight, int atomicNumber, doublereal entropy298=ENTROPY298_UNKNOWN, int elem_type=CT_ELEM_TYPE_ABSPOS)
	Add an element after elements have been frozen, checking for uniqueness The uniqueness is checked by comparing the string symbol. More...

void	addSpecies (const std::string &name, const doublereal *comp, doublereal charge=0.0, doublereal size=1.0)

void	addUniqueSpecies (const std::string &name, const doublereal *comp, doublereal charge=0.0, doublereal size=1.0)
	Add a species to the phase, checking for uniqueness of the name This routine checks for uniqueness of the string name. 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
void	_updateThermo () const

Protected Member Functions inherited from SingleSpeciesTP
void	_updateThermo () 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...

Private Attributes
WaterPropsIAPWS *	m_sub
	Pointer to the WaterPropsIAPWS that calculates the real properties of water. More...

WaterProps *	m_waterProps
	Pointer to the WaterProps object. More...

doublereal	m_mw
	Molecular weight of Water -> Cantera assumption. More...

doublereal	EW_Offset
	Offset constants used to obtain consistency with the NIST database. More...

doublereal	SW_Offset
	Offset constant used to obtain consistency with NIST convention. More...

bool	m_ready
	Boolean is true if object has been properly initialized for calculation. More...

bool	m_allowGasPhase
	Since this phase represents a liquid phase, it's an error to return a gas-phase answer. More...

Additional Inherited Members
Public Attributes inherited from Phase
enum CT_RealNumber_Range_Behavior	realNumberRangeBehavior_
	Overflow behavior of real number calculations involving this thermo object. More...

Protected Attributes inherited from SingleSpeciesTP
doublereal	m_press
	The current pressure of the solution (Pa) More...

doublereal	m_p0

vector_fp	m_h0_RT
	Dimensionless enthalpy at the (mtlast, m_p0) More...

vector_fp	m_cp0_R
	Dimensionless heat capacity at the (mtlast, m_p0) More...

vector_fp	m_s0_R
	Dimensionless entropy at the (mtlast, m_p0) More...

Protected Attributes inherited from ThermoPhase
SpeciesThermo *	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. More...

vector_fp	m_lambdaRRT
	Vector of element potentials. 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...

std::vector< doublereal >	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

Class for single-component water.

This is designed to cover just the liquid part of water.

The reference is W. Wagner, A. Prub, "The IAPWS Formulation 1995 for the Thermodynamic Properties of Ordinary Water Substance for General and Scientific Use," J. Phys. Chem. Ref. Dat, 31, 387, 2002.

Specification of Species Standard State Properties

The offsets used in the steam tables are different than NIST's. They assume u_liq(TP) = 0.0, s_liq(TP) = 0.0, where TP is the triple point conditions:

u(273.16, rho) = 0.0
s(273.16, rho) = 0.0
psat(273.16) = 611.655 Pascal
rho(273.16, psat) = 999.793 kg m-3

These "steam table" assumptions are used by the WaterPropsIAPWS class. Therefore, offsets must be calculated to make the thermodynamic properties calculated within this class to be consistent with thermo properties within Cantera.

The thermodynamic base state for water is set to the NIST basis here by specifying constants, EW_Offset and SW_Offset, one for energy quantities and one for entropy quantities. The offsets are specified so that the following properties hold:

Delta_Hfo_idealgas(298.15) = -241.826 kJ/gmol
So_idealgas(298.15, 1bar) = 188.835 J/gmolK

(From http://webbook.nist.gov)

The "o" here refers to a hypothetical ideal gas state. The way we achieve this in practice is to evaluate at a very low pressure and then use the theoretical ideal gas results to scale up to higher pressures:

Ho(1bar) = H(P0)

So(1bar) = S(P0) + RT ln(1bar/P0)

Application within Kinetics Managers

This is unimplemented.

Instantiation of the Class

The constructor for this phase is NOT located in the default ThermoFactory for Cantera. However, a new WaterSSTP object may be created by the following code snippets, combined with an XML file given in the XML example section.

WaterSSTP *w = new WaterSSTP("waterSSTPphase.xml","");

or

XML_Node *xm = get_XML_NameID("phase", "waterSSTPphase.xml#water", 0);

WaterSSTP *w = new WaterSSTP(*xm);

or by the following call to importPhase():

XML_Node *xm = get_XML_NameID("phase", "waterSSTPphase.xml#water", 0);
WaterSSTP water;
importPhase(*xm, &water);

XML Example

An example of an XML Element named phase setting up a WaterSSTP object with id "water" is given below.

<!-- phase water     -->
<phase dim="3" id="water">
  <elementArray datasrc="elements.xml">O  H </elementArray>
  <speciesArray datasrc="#species_data">H2O</speciesArray>
  <state>
    <temperature units="K">300.0</temperature>
    <pressure units="Pa">101325.0</pressure>
  </state>
  <thermo model="PureLiquidWater"/>
  <kinetics model="none"/>
</phase>

Note the model "PureLiquidWater" indicates the usage of the WaterSSTP object.

Definition at line 125 of file WaterSSTP.h.

Constructor & Destructor Documentation

WaterSSTP ( )

Base constructor.

Definition at line 22 of file WaterSSTP.cpp.

Referenced by WaterSSTP::duplMyselfAsThermoPhase().

WaterSSTP ( const WaterSSTP & b )

Copy constructor.

Definition at line 57 of file WaterSSTP.cpp.

References WaterSSTP::m_sub, and WaterSSTP::m_waterProps.

WaterSSTP	(	const std::string &	inputFile,
		const std::string &	id = `""`
	)

explicit

Full constructor for a water phase.

Parameters

inputFile	String name of the input file
id	string id of the phase name

Definition at line 33 of file WaterSSTP.cpp.

References ThermoPhase::initThermoFile().

WaterSSTP	(	XML_Node &	phaseRef,
		const std::string &	id = `""`
	)

explicit

Full constructor for a water phase.

Parameters

phaseRef	XML node referencing the water phase.
id	string id of the phase name

Definition at line 45 of file WaterSSTP.cpp.

References Cantera::findXMLPhase(), and Cantera::importPhase().

~WaterSSTP ( )

virtual

Destructor.

Definition at line 100 of file WaterSSTP.cpp.

References WaterSSTP::m_sub, and WaterSSTP::m_waterProps.

Member Function Documentation

WaterSSTP & operator= ( const WaterSSTP & b )

Assignment operator.

Definition at line 77 of file WaterSSTP.cpp.

References WaterSSTP::m_allowGasPhase, WaterSSTP::m_mw, WaterSSTP::m_ready, WaterSSTP::m_sub, and WaterSSTP::m_waterProps.

ThermoPhase * duplMyselfAsThermoPhase ( ) const

virtual

Duplicator from a ThermoPhase object.

Reimplemented from SingleSpeciesTP.

Definition at line 95 of file WaterSSTP.cpp.

References WaterSSTP::WaterSSTP().

virtual int eosType ( ) const

inlinevirtual

Returns the equation of state type flag.

This is a modified base class. Therefore, if not overridden in derived classes, this call will throw an exception.

Reimplemented from SingleSpeciesTP.

Definition at line 157 of file WaterSSTP.h.

doublereal cv_mole ( ) const

virtual

Molar heat capacity at constant volume. Units: J/kmol/K.

This function is resolved here by calling the standard state thermo function.

Reimplemented from SingleSpeciesTP.

Definition at line 235 of file WaterSSTP.cpp.

References WaterPropsIAPWS::cv(), and WaterSSTP::m_sub.

doublereal pressure ( ) const

virtual

Return the thermodynamic pressure (Pa).

This method must be overloaded in derived classes. Since the mass density, temperature, and mass fractions are stored, this method should use these values to implement the mechanical equation of state \( P(T, \rho, Y_1, \dots, Y_K) \).

Reimplemented from ThermoPhase.

Definition at line 350 of file WaterSSTP.cpp.

References WaterSSTP::m_sub, and WaterPropsIAPWS::pressure().

Referenced by WaterSSTP::dthermalExpansionCoeffdT(), WaterSSTP::getCp_R_ref(), WaterSSTP::getEnthalpy_RT_ref(), WaterSSTP::getEntropy_R_ref(), WaterSSTP::getGibbs_RT_ref(), and WaterSSTP::getStandardVolumes_ref().

void setPressure ( doublereal p )

virtual

Set the internally stored pressure (Pa) at constant temperature and composition.

This method must be reimplemented in derived classes, where it may involve the solution of a nonlinear equation. Within Cantera, the independent variable is the density. Therefore, this function solves for the density that will yield the desired input pressure. The temperature and composition are held constant during this process.

This base class function will print an error, if not overwritten.

Parameters

p	input Pressure (Pa)

Reimplemented from ThermoPhase.

Definition at line 355 of file WaterSSTP.cpp.

References WaterPropsIAPWS::density(), Phase::density(), WaterSSTP::m_sub, WaterPropsIAPWS::Rhocrit(), WaterSSTP::setDensity(), and Phase::temperature().

doublereal isothermalCompressibility ( ) const

virtual

Returns the isothermal compressibility. Units: 1/Pa.

The isothermal compressibility is defined as

\[ \kappa_T = -\frac{1}{v}\left(\frac{\partial v}{\partial P}\right)_T \]

or

\[ \kappa_T = \frac{1}{\rho}\left(\frac{\partial \rho}{\partial P}\right)_T \]

Reimplemented from ThermoPhase.

Definition at line 371 of file WaterSSTP.cpp.

References WaterPropsIAPWS::isothermalCompressibility(), and WaterSSTP::m_sub.

doublereal thermalExpansionCoeff ( ) const

virtual

Return the volumetric thermal expansion coefficient. Units: 1/K.

The thermal expansion coefficient is defined as

\[ \beta = \frac{1}{v}\left(\frac{\partial v}{\partial T}\right)_P \]

Reimplemented from ThermoPhase.

Definition at line 376 of file WaterSSTP.cpp.

References WaterPropsIAPWS::coeffThermExp(), and WaterSSTP::m_sub.

doublereal dthermalExpansionCoeffdT ( ) const

virtual

Return the derivative of the volumetric thermal expansion coefficient. Units: 1/K2.

The thermal expansion coefficient is defined as

\[ \beta = \frac{1}{v}\left(\frac{\partial v}{\partial T}\right)_P \]

Definition at line 381 of file WaterSSTP.cpp.

References WaterPropsIAPWS::coeffThermExp(), WaterPropsIAPWS::density(), Phase::density(), Cantera::fp2str(), WaterSSTP::m_sub, WaterSSTP::pressure(), WaterPropsIAPWS::setState_TR(), and Phase::temperature().

void getStandardChemPotentials ( doublereal * gss ) const

virtual

Get the Gibbs function for the species standard states at the current T and P of the solution.

Parameters

gss	Vector of length m_kk, which on return will contain the standard state Gibbs function for species k.

Reimplemented from ThermoPhase.

Definition at line 222 of file WaterSSTP.cpp.

References WaterSSTP::EW_Offset, WaterPropsIAPWS::Gibbs(), WaterSSTP::m_ready, WaterSSTP::m_sub, WaterSSTP::SW_Offset, and Phase::temperature().

void getGibbs_RT ( doublereal * grt ) const

virtual

Get the nondimensional Gibbs function for the species standard states at the current T and P of the solution.

Parameters

grt	Vector of length m_kk, which on return will contain the nondimensional standard state Gibbs function for species k

Reimplemented from ThermoPhase.

Definition at line 213 of file WaterSSTP.cpp.

References WaterSSTP::EW_Offset, Cantera::GasConstant, WaterPropsIAPWS::Gibbs(), WaterSSTP::m_ready, WaterSSTP::m_sub, WaterSSTP::SW_Offset, and Phase::temperature().

void getEnthalpy_RT ( doublereal * hrt ) const

virtual

Get the array of nondimensional Enthalpy functions for the standard state species at the current T and P of the solution.

Parameters

hrt	Vector of length m_kk, which on return will contain the nondimensional standard state enthalpy of species k

Reimplemented from ThermoPhase.

Definition at line 198 of file WaterSSTP.cpp.

References WaterPropsIAPWS::enthalpy(), WaterSSTP::EW_Offset, Cantera::GasConstant, WaterSSTP::m_sub, and Phase::temperature().

void getEntropy_R ( doublereal * sr ) const

virtual

Get the nondimensional Entropies for the species standard states at the current T and P of the solution.

Parameters

sr	Vector of length m_kk, which on return will contain the nondimensional standard state entropy for speciesk

Reimplemented from ThermoPhase.

Definition at line 208 of file WaterSSTP.cpp.

References WaterPropsIAPWS::entropy(), Cantera::GasConstant, WaterSSTP::m_sub, and WaterSSTP::SW_Offset.

void getCp_R ( doublereal * cpr ) const

virtual

Get the nondimensional heat capacity at constant pressure function for the species standard states at the current T and P of the solution.

Parameters

cpr	Vector of length m_kk, which on return will contain the nondimensional constant pressure heat capacity for species k

Reimplemented from ThermoPhase.

Definition at line 230 of file WaterSSTP.cpp.

References WaterPropsIAPWS::cp(), Cantera::GasConstant, and WaterSSTP::m_sub.

void getIntEnergy_RT ( doublereal * urt ) const

virtual

Returns the vector of nondimensional internal Energies of the standard state at the current temperature and pressure of the solution for each species.

Parameters

urt	Output vector of standard state nondimensional internal energies. Length: m_kk.

Reimplemented from ThermoPhase.

Definition at line 203 of file WaterSSTP.cpp.

References WaterSSTP::EW_Offset, Cantera::GasConstant, WaterPropsIAPWS::intEnergy(), and WaterSSTP::m_sub.

void getEnthalpy_RT_ref ( doublereal * hrt ) const

virtual

Returns the vector of nondimensional enthalpies of the reference state at the current temperature of the solution and the reference pressure for the species.

All functions in this group need to be overrided, because the m_spthermo SpeciesThermo function is not adequate for the real equation of state.

Parameters

hrt	Output vector containing the nondimensional reference state enthalpies Length: m_kk.

Reimplemented from SingleSpeciesTP.

Definition at line 240 of file WaterSSTP.cpp.

References WaterPropsIAPWS::density(), Phase::density(), WaterPropsIAPWS::enthalpy(), WaterSSTP::EW_Offset, Cantera::GasConstant, WaterSSTP::m_sub, Cantera::OneAtm, WaterSSTP::pressure(), WaterPropsIAPWS::Rhocrit(), and Phase::temperature().

void getGibbs_RT_ref ( doublereal * grt ) const

virtual

Returns the vector of nondimensional enthalpies of the reference state at the current temperature of the solution and the reference pressure for the species.

Parameters

grt	Output vector containing the nondimensional reference state Gibbs Free energies. Length: m_kk.

Reimplemented from SingleSpeciesTP.

Definition at line 259 of file WaterSSTP.cpp.

References WaterPropsIAPWS::density(), Phase::density(), WaterSSTP::EW_Offset, Cantera::GasConstant, WaterPropsIAPWS::Gibbs(), WaterSSTP::m_sub, Cantera::OneAtm, WaterSSTP::pressure(), WaterPropsIAPWS::Rhocrit(), WaterPropsIAPWS::setState_TR(), WaterSSTP::SW_Offset, and Phase::temperature().

Referenced by WaterSSTP::getGibbs_ref().

void getGibbs_ref ( doublereal * g ) const

virtual

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. units = J/kmol

Parameters

g	Output vector containing the reference state Gibbs Free energies. Length: m_kk. Units: J/kmol.

Reimplemented from SingleSpeciesTP.

Definition at line 280 of file WaterSSTP.cpp.

References ThermoPhase::_RT(), WaterSSTP::getGibbs_RT_ref(), and Phase::m_kk.

void getEntropy_R_ref ( doublereal * er ) const

virtual

Returns the vector of nondimensional entropies of the reference state at the current temperature of the solution and the reference pressure for each species.

Parameters

er	Output vector containing the nondimensional reference state entropies. Length: m_kk.

Reimplemented from SingleSpeciesTP.

Definition at line 289 of file WaterSSTP.cpp.

References WaterPropsIAPWS::density(), Phase::density(), WaterPropsIAPWS::entropy(), Cantera::GasConstant, WaterSSTP::m_sub, Cantera::OneAtm, WaterSSTP::pressure(), WaterPropsIAPWS::Rhocrit(), WaterPropsIAPWS::setState_TR(), WaterSSTP::SW_Offset, and Phase::temperature().

void getCp_R_ref ( doublereal * cprt ) const

virtual

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.

Parameters

cprt	Output vector of nondimensional reference state heat capacities at constant pressure for the species. Length: m_kk

Reimplemented from SingleSpeciesTP.

Definition at line 312 of file WaterSSTP.cpp.

References WaterPropsIAPWS::cp(), WaterPropsIAPWS::density(), Phase::density(), Cantera::GasConstant, WaterSSTP::m_sub, Cantera::OneAtm, WaterSSTP::pressure(), WaterPropsIAPWS::Rhocrit(), WaterPropsIAPWS::setState_TR(), and Phase::temperature().

void getStandardVolumes_ref ( doublereal * vol ) const

virtual

Get the molar volumes of the species reference states at the current T and P_ref of the solution.

units = m^3 / kmol

Parameters

vol	Output vector containing the standard state volumes. Length: m_kk.

Reimplemented from ThermoPhase.

Definition at line 332 of file WaterSSTP.cpp.

References WaterPropsIAPWS::density(), Phase::density(), WaterSSTP::m_sub, Phase::meanMolecularWeight(), Cantera::OneAtm, WaterSSTP::pressure(), WaterPropsIAPWS::Rhocrit(), and Phase::temperature().

doublereal critTemperature ( ) const

virtual

critical temperature

Reimplemented from ThermoPhase.

Definition at line 398 of file WaterSSTP.cpp.

References WaterSSTP::m_sub, and WaterPropsIAPWS::Tcrit().

doublereal critPressure ( ) const

virtual

critical pressure

Reimplemented from ThermoPhase.

Definition at line 403 of file WaterSSTP.cpp.

References WaterSSTP::m_sub, and WaterPropsIAPWS::Pcrit().

doublereal critDensity ( ) const

virtual

critical density

Reimplemented from ThermoPhase.

Definition at line 408 of file WaterSSTP.cpp.

References WaterSSTP::m_sub, and WaterPropsIAPWS::Rhocrit().

doublereal satPressure ( doublereal t )

virtual

saturation pressure

Parameters

t	Temperature (kelvin)

Reimplemented from ThermoPhase.

Definition at line 425 of file WaterSSTP.cpp.

References Phase::density(), WaterSSTP::m_sub, WaterPropsIAPWS::psat(), WaterPropsIAPWS::setState_TR(), and Phase::temperature().

doublereal vaporFraction ( ) const

virtual

Return the fraction of vapor at the current conditions.

Below Tcrit, this routine will always return 0, by definition of the functionality of the routine. Above Tcrit, we query the density to toggle between 0 and 1.

Reimplemented from ThermoPhase.

Definition at line 433 of file WaterSSTP.cpp.

References Phase::density(), WaterSSTP::m_sub, WaterPropsIAPWS::Rhocrit(), WaterPropsIAPWS::Tcrit(), and Phase::temperature().

void setTemperature ( const doublereal temp )

virtual

Set the temperature of the phase.

The density and composition of the phase is constant during this operator.

Parameters

temp	Temperature (Kelvin)

Reimplemented from Phase.

Definition at line 413 of file WaterSSTP.cpp.

References Phase::density(), WaterSSTP::m_sub, WaterPropsIAPWS::setState_TR(), and Phase::setTemperature().

Referenced by WaterSSTP::initThermoXML().

void setDensity ( const doublereal dens )

virtual

Set the density of the phase.

The temperature and composition of the phase is constant during this operator.

Parameters

dens	value of the density in kg m-3

Reimplemented from Phase.

Definition at line 419 of file WaterSSTP.cpp.

References WaterSSTP::m_sub, Phase::setDensity(), WaterPropsIAPWS::setState_TR(), and Phase::temperature().

Referenced by WaterSSTP::initThermoXML(), and WaterSSTP::setPressure().

void initThermoXML	(	XML_Node &	phaseNode,
		const std::string &	id
	)

virtual

Import and initialize a ThermoPhase object using an XML tree.

Here we read extra information about the XML description of a phase. Regular information about elements and species and their reference state thermodynamic information have already been read at this point. For example, we do not need to call this function for ideal gas equations of state. This function is called from importPhase() after the elements and the species are initialized with default ideal solution level data.

The default implementation in ThermoPhase calls the virtual function initThermo() and then sets the "state" of the phase by looking for an XML element named "state", and then interpreting its contents by calling the virtual function setStateFromXML().

Parameters

phaseNode	This object must be the phase node of a complete XML tree description of the phase, including all of the species data. In other words while "phase" must point to an XML phase object, it must have sibling nodes "speciesData" that describe the species in the phase.
id	ID of the phase. If nonnull, a check is done to see if phaseNode is pointing to the phase with the correct id.

Reimplemented from ThermoPhase.

Definition at line 106 of file WaterSSTP.cpp.

References Phase::atomicWeight(), WaterPropsIAPWS::density(), Phase::elementIndex(), SingleSpeciesTP::enthalpy_mole(), SingleSpeciesTP::entropy_mole(), WaterSSTP::EW_Offset, Cantera::GasConstant, SingleSpeciesTP::initThermo(), WaterSSTP::m_mw, WaterSSTP::m_ready, ThermoPhase::m_spthermo, WaterSSTP::m_sub, WaterSSTP::m_waterProps, Cantera::npos, Cantera::OneAtm, WaterSSTP::setDensity(), Phase::setDensity(), Phase::setMolecularWeight(), SingleSpeciesTP::setMoleFractions(), WaterSSTP::setTemperature(), Phase::setTemperature(), and WaterSSTP::SW_Offset.

void setParametersFromXML ( const XML_Node & eosdata )

virtual

Set equation of state parameter values from XML entries.

This method is called by function importPhase() when processing a phase definition in an input file. It should be overloaded in subclasses to set any parameters that are specific to that particular phase model. Note, this method is called before the phase is initialized with elements and/or species.

Parameters

eosdata An XML_Node object corresponding to the "thermo" entry for this phase in the input file.

Reimplemented from ThermoPhase.

Definition at line 193 of file WaterSSTP.cpp.

References XML_Node::_require().

WaterPropsIAPWS* getWater ( )

inline

Get a pointer to a changeable WaterPropsIAPWS object.

Definition at line 420 of file WaterSSTP.h.

References WaterSSTP::m_sub.

Referenced by WaterTransport::initTP().

WaterProps* getWaterProps ( )

inline

Get a pointer to a changeable WaterPropsIAPWS object.

Definition at line 425 of file WaterSSTP.h.

References WaterSSTP::m_waterProps.

Referenced by WaterTransport::initTP().

void _updateThermo ( ) const

protected

This internal routine must be overwritten because it is not applicable.

Member Data Documentation

WaterPropsIAPWS* m_sub

mutableprivate

Pointer to the WaterPropsIAPWS that calculates the real properties of water.

Definition at line 440 of file WaterSSTP.h.

Referenced by WaterSSTP::critDensity(), WaterSSTP::critPressure(), WaterSSTP::critTemperature(), WaterSSTP::cv_mole(), WaterSSTP::dthermalExpansionCoeffdT(), WaterSSTP::getCp_R(), WaterSSTP::getCp_R_ref(), WaterSSTP::getEnthalpy_RT(), WaterSSTP::getEnthalpy_RT_ref(), WaterSSTP::getEntropy_R(), WaterSSTP::getEntropy_R_ref(), WaterSSTP::getGibbs_RT(), WaterSSTP::getGibbs_RT_ref(), WaterSSTP::getIntEnergy_RT(), WaterSSTP::getStandardChemPotentials(), WaterSSTP::getStandardVolumes_ref(), WaterSSTP::getWater(), WaterSSTP::initThermoXML(), WaterSSTP::isothermalCompressibility(), WaterSSTP::operator=(), WaterSSTP::pressure(), WaterSSTP::satPressure(), WaterSSTP::setDensity(), WaterSSTP::setPressure(), WaterSSTP::setTemperature(), WaterSSTP::thermalExpansionCoeff(), WaterSSTP::vaporFraction(), WaterSSTP::WaterSSTP(), and WaterSSTP::~WaterSSTP().

WaterProps* m_waterProps

private

Pointer to the WaterProps object.

This class is used to house several approximation routines for properties of water.

This object owns m_waterProps, and the WaterPropsIAPWS object used by WaterProps is m_sub, which is defined above.

Definition at line 450 of file WaterSSTP.h.

Referenced by WaterSSTP::getWaterProps(), WaterSSTP::initThermoXML(), WaterSSTP::operator=(), WaterSSTP::WaterSSTP(), and WaterSSTP::~WaterSSTP().

doublereal m_mw

private

Molecular weight of Water -> Cantera assumption.

Definition at line 453 of file WaterSSTP.h.

Referenced by WaterSSTP::initThermoXML(), and WaterSSTP::operator=().

doublereal EW_Offset

private

Offset constants used to obtain consistency with the NIST database.

This is added to all internal energy and enthalpy results. units = J kmol-1.

Definition at line 460 of file WaterSSTP.h.

Referenced by WaterSSTP::getEnthalpy_RT(), WaterSSTP::getEnthalpy_RT_ref(), WaterSSTP::getGibbs_RT(), WaterSSTP::getGibbs_RT_ref(), WaterSSTP::getIntEnergy_RT(), WaterSSTP::getStandardChemPotentials(), and WaterSSTP::initThermoXML().

doublereal SW_Offset

private

Offset constant used to obtain consistency with NIST convention.

This is added to all internal entropy results. units = J kmol-1 K-1.

Definition at line 467 of file WaterSSTP.h.

Referenced by WaterSSTP::getEntropy_R(), WaterSSTP::getEntropy_R_ref(), WaterSSTP::getGibbs_RT(), WaterSSTP::getGibbs_RT_ref(), WaterSSTP::getStandardChemPotentials(), and WaterSSTP::initThermoXML().

bool m_ready

private

Boolean is true if object has been properly initialized for calculation.

Definition at line 470 of file WaterSSTP.h.

Referenced by WaterSSTP::getGibbs_RT(), WaterSSTP::getStandardChemPotentials(), WaterSSTP::initThermoXML(), and WaterSSTP::operator=().

bool m_allowGasPhase

private

Since this phase represents a liquid phase, it's an error to return a gas-phase answer.

However, if the below is true, then a gas-phase answer is allowed. This is used to check the thermodynamic consistency with ideal-gas thermo functions for example.

Definition at line 478 of file WaterSSTP.h.

Referenced by WaterSSTP::operator=().

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

Public Member Functions

Protected Member Functions

Private Attributes

Additional Inherited Members

Detailed Description

Specification of Species Standard State Properties

Application within Kinetics Managers

Instantiation of the Class

XML Example

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation