Cantera 2.6.0

Public Member Functions | Protected Member Functions | Private Attributes | List of all members
WaterSSTP Class Reference
Models of Phases of Matter » Thermodynamic Properties

Class for single-component water. More...

`#include <WaterSSTP.h>`

Inheritance diagram for WaterSSTP:
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Collaboration diagram for WaterSSTP:
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## Public Member Functions
| 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 std::string | type () const
| String indicating the thermodynamic model implemented. More...
virtual std::string | phaseOfMatter () const
| String indicating the mechanical phase of the matter in this Phase. More...
virtual doublereal | critTemperature () const
| Critical temperature (K). More...
virtual doublereal | critPressure () const
| Critical pressure (Pa). More...
virtual doublereal | critDensity () const
| Critical density (kg/m3). More...
virtual doublereal | satPressure (doublereal t)
| Return the saturation pressure given the temperature. More...
virtual bool | compatibleWithMultiPhase () const
| Indicates whether this phase type can be used with class MultiPhase for equilibrium calculations. 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 | initThermo ()
| Initialize the ThermoPhase object after all species have been set up. 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...
void | _allowGasPhase (bool flag)
| Switch that enables calculations in the gas phase. 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. More...
Properties of the Standard State of the Species in the Solution
virtual void | getStandardChemPotentials (doublereal *gss) 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 | 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 | 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 | 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 | 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...
Thermodynamic Values for the Species Reference State
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 SingleSpeciesTP
| SingleSpeciesTP ()
| Base empty constructor. More...
virtual std::string | type () const
| String indicating the thermodynamic model implemented. More...
virtual bool | isPure () const
| Return whether phase represents a pure (single species) substance. More...
virtual bool | addSpecies (shared_ptr< Species > spec)
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 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 molar-based activity coefficients at the current solution temperature, pressure, and solution concentration. More...
virtual void | getChemPotentials_RT (doublereal *murt) const
| Get the array of non-dimensional species chemical potentials. More...
virtual void | getChemPotentials (doublereal *mu) const
| Get the array of chemical potentials. More...
virtual 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...
virtual void | getPartialMolarEntropies (doublereal *sbar) const
| Get the species partial molar entropy. Units: J/kmol K. More...
virtual void | getPartialMolarCp (doublereal *cpbar) const
| Get the species partial molar Heat Capacities. Units: J/ kmol /K. More...
virtual void | getPartialMolarVolumes (doublereal *vbar) const
| Get the species partial molar volumes. Units: m^3/kmol. 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 | 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...
virtual void | setMassFractions (const doublereal *const y)
| Mass fractions are fixed, with Y[0] = 1.0. More...
virtual void | setMoleFractions (const doublereal *const x)
| Mole fractions are fixed, with x[0] = 1.0. 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...
Public Member Functions inherited from ThermoPhase
| ThermoPhase ()
| Constructor. More...
doublereal | RT () const
| Return the Gas Constant multiplied by the current temperature. More...
double | equivalenceRatio () const
| Compute the equivalence ratio for the current mixture from available oxygen and required oxygen. More...
virtual bool | isIdeal () const
| Boolean indicating whether phase is ideal. 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...
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 Units | standardConcentrationUnits () const
| Returns the units of the "standard concentration" for this phase. 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 | 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 | 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...
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_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...
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...
virtual void | setState (const AnyMap &state)
| Set the state using an AnyMap containing any combination of properties supported by the thermodynamic model. More...
void | setMixtureFraction (double mixFrac, const double *fuelComp, const double *oxComp, ThermoBasis basis=ThermoBasis::molar)
| Set the mixture composition according to the mixture fraction = kg fuel / (kg oxidizer + kg fuel) More...
void | setMixtureFraction (double mixFrac, const std::string &fuelComp, const std::string &oxComp, ThermoBasis basis=ThermoBasis::molar)
| Set the mixture composition according to the mixture fraction = kg fuel / (kg oxidizer + kg fuel) More...
void | setMixtureFraction (double mixFrac, const compositionMap &fuelComp, const compositionMap &oxComp, ThermoBasis basis=ThermoBasis::molar)
| Set the mixture composition according to the mixture fraction = kg fuel / (kg oxidizer + kg fuel) More...
double | mixtureFraction (const double *fuelComp, const double *oxComp, ThermoBasis basis=ThermoBasis::molar, const std::string &element="Bilger") const
| Compute the mixture fraction = kg fuel / (kg oxidizer + kg fuel) for the current mixture given fuel and oxidizer compositions. More...
double | mixtureFraction (const std::string &fuelComp, const std::string &oxComp, ThermoBasis basis=ThermoBasis::molar, const std::string &element="Bilger") const
| Compute the mixture fraction = kg fuel / (kg oxidizer + kg fuel) for the current mixture given fuel and oxidizer compositions. More...
double | mixtureFraction (const compositionMap &fuelComp, const compositionMap &oxComp, ThermoBasis basis=ThermoBasis::molar, const std::string &element="Bilger") const
| Compute the mixture fraction = kg fuel / (kg oxidizer + kg fuel) for the current mixture given fuel and oxidizer compositions. More...
void | setEquivalenceRatio (double phi, const double *fuelComp, const double *oxComp, ThermoBasis basis=ThermoBasis::molar)
| Set the mixture composition according to the equivalence ratio. More...
void | setEquivalenceRatio (double phi, const std::string &fuelComp, const std::string &oxComp, ThermoBasis basis=ThermoBasis::molar)
| Set the mixture composition according to the equivalence ratio. More...
void | setEquivalenceRatio (double phi, const compositionMap &fuelComp, const compositionMap &oxComp, ThermoBasis basis=ThermoBasis::molar)
| Set the mixture composition according to the equivalence ratio. More...
double | equivalenceRatio (const double *fuelComp, const double *oxComp, ThermoBasis basis=ThermoBasis::molar) const
| Compute the equivalence ratio for the current mixture given the compositions of fuel and oxidizer. More...
double | equivalenceRatio (const std::string &fuelComp, const std::string &oxComp, ThermoBasis basis=ThermoBasis::molar) const
| Compute the equivalence ratio for the current mixture given the compositions of fuel and oxidizer. More...
double | equivalenceRatio (const compositionMap &fuelComp, const compositionMap &oxComp, ThermoBasis basis=ThermoBasis::molar) const
| Compute the equivalence ratio for the current mixture given the compositions of fuel and oxidizer. More...
double | stoichAirFuelRatio (const double *fuelComp, const double *oxComp, ThermoBasis basis=ThermoBasis::molar) const
| Compute the stoichiometric air to fuel ratio (kg oxidizer / kg fuel) given fuel and oxidizer compositions. More...
double | stoichAirFuelRatio (const std::string &fuelComp, const std::string &oxComp, ThermoBasis basis=ThermoBasis::molar) const
| Compute the stoichiometric air to fuel ratio (kg oxidizer / kg fuel) given fuel and oxidizer compositions. More...
double | stoichAirFuelRatio (const compositionMap &fuelComp, const compositionMap &oxComp, ThermoBasis basis=ThermoBasis::molar) const
| Compute the stoichiometric air to fuel ratio (kg oxidizer / kg fuel) given fuel and oxidizer compositions. 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 *mu_RT)
| This method is used by the ChemEquil equilibrium solver. 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...
void | setState_TPQ (double T, double P, double Q)
| Set the temperature, pressure, and vapor fraction (quality). 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...
virtual MultiSpeciesThermo & | speciesThermo (int k=-1)
| Return a changeable reference to the calculation manager for species reference-state thermodynamic properties. More...
virtual const MultiSpeciesThermo & | speciesThermo (int k=-1) const
void | initThermoFile (const std::string &inputFile, const std::string &id)
virtual void | initThermoXML (XML_Node &phaseNode, const std::string &id)
| Import and initialize a ThermoPhase object using an XML tree. 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 | setParameters (const AnyMap &phaseNode, const AnyMap &rootNode=AnyMap())
| Set equation of state parameters from an AnyMap phase description. More...
AnyMap | parameters (bool withInput=true) const
| Returns the parameters of a ThermoPhase object such that an identical one could be reconstructed using the newPhase(AnyMap&) function. More...
virtual void | getSpeciesParameters (const std::string &name, AnyMap &speciesNode) const
| Get phase-specific parameters of a Species object such that an identical one could be reconstructed and added to this phase. More...
const AnyMap & | input () const
| Access input data associated with the phase description. More...
AnyMap & | input ()
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 | invalidateCache ()
| Invalidate any cached values which are normally updated only when a change in state is detected. 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...
| Phase (const Phase &)=delete
Phase & | operator= (const Phase &)=delete
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...
virtual bool | isPure () const
| Return whether phase represents a pure (single species) substance. More...
virtual bool | hasPhaseTransition () const
| Return whether phase represents a substance with phase transitions. More...
virtual bool | isCompressible () const
| Return whether phase represents a compressible substance. More...
virtual std::map< std::string, size_t > | nativeState () const
| Return a map of properties defining the native state of a substance. More...
virtual std::vector< std::string > | fullStates () const
| Return a vector containing full states defining a phase. More...
virtual std::vector< std::string > | partialStates () const
| Return a vector of settable partial property sets within a phase. More...
virtual size_t | stateSize () const
| Return size of vector defining internal state of the phase. More...
void | saveState (vector_fp &state) const
| Save the current internal state of the phase. More...
virtual 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...
virtual 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...
void | getCharges (double *charges) const
| Copy the vector of species charges into array charges. 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 double * | moleFractdivMMW () const
| Returns a const pointer to the start of the moleFraction/MW array. 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...
virtual void | invalidateCache ()
| Invalidate any cached values which are normally updated only when a change in state is detected. More...
bool | caseSensitiveSpecies () const
| Returns `true` if case sensitive species names are enforced. More...
void | setCaseSensitiveSpecies (bool cflag=true)
| Set flag that determines whether case sensitive species are enforced in look-up operations, for example speciesIndex. More...
virtual void | setRoot (std::shared_ptr< Solution > root)
| Set root Solution holding all phase information. More...
vector_fp | getCompositionFromMap (const compositionMap &comp) const
| Converts a compositionMap to a vector with entries for each species Species that are not specified are set to zero in the vector. More...
void | massFractionsToMoleFractions (const double *Y, double *X) const
| Converts a mixture composition from mole fractions to mass fractions. More...
void | moleFractionsToMassFractions (const double *X, double *Y) const
| Converts a mixture composition from mass fractions to mole fractions. 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...
double | moleFraction (size_t k) const
| Return the mole fraction of a single species. More...
double | 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...
double | massFraction (size_t k) const
| Return the mass fraction of a single species. More...
double | massFraction (const std::string &name) const
| Return the mass fraction of a single species. More...
void | getMoleFractions (double *const x) const
| Get the species mole fraction vector. More...
virtual void | setMoleFractions_NoNorm (const double *const x)
| Set the mole fractions to the specified values without normalizing. More...
void | getMassFractions (double *const y) const
| Get the species mass fractions. More...
const double * | massFractions () const
| Return a const pointer to the mass fraction array. More...
virtual void | setMassFractions_NoNorm (const double *const y)
| Set the mass fractions to the specified values without normalizing. More...
void | getConcentrations (double *const c) const
| Get the species concentrations (kmol/m^3). More...
double | concentration (const size_t k) const
| Concentration of species k. More...
virtual void | setConcentrations (const double *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 | temperature () const
| Temperature (K). More...
virtual double | electronTemperature () const
| Electron Temperature (K) More...
virtual double | density () const
| Density (kg/m^3). More...
double | molarDensity () const
| Molar density (kmol/m^3). More...
double | molarVolume () const
| Molar volume (m^3/kmol). More...
virtual void | setMolarDensity (const double molarDensity)
| Set the internally stored molar density (kmol/m^3) of the phase. More...
virtual void | setElectronTemperature (double etemp)
| Set the internally stored electron temperature of the phase (K). 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...
void | addSpeciesAlias (const std::string &name, const std::string &alias)
| Add a species alias (that is, a user-defined alternative species name). More...
virtual std::vector< std::string > | findIsomers (const compositionMap &compMap) const
| Return a vector with isomers names matching a given composition map. More...
virtual std::vector< std::string > | findIsomers (const std::string &comp) const
| Return a vector with isomers names matching a given composition string. 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 | getParameters (AnyMap &phaseNode) const
| Store the parameters of a ThermoPhase object such that an identical one could be reconstructed using the newPhase(AnyMap&) function. More...
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 | assertCompressible (const std::string &setter) const
| Ensure that phase is compressible. More...
void | assignDensity (const double density_)
| Set the internally stored constant density (kg/m^3) of the phase. More...
void | setMolecularWeight (const int k, const double mw)
| Set the molecular weight of a single species to a given value. More...
virtual void | compositionChanged ()
| Apply changes to the state which are needed after the composition changes. More...

## Private Attributes
WaterPropsIAPWS | m_sub
| WaterPropsIAPWS that calculates the real properties of water. More...
std::unique_ptr< 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 (or supercritical) phase, it is an error to return a gas-phase answer. More...

## Additional Inherited Members
Protected Attributes inherited from SingleSpeciesTP
doublereal | m_press
| The current pressure of the solution (Pa). It gets initialized to 1 atm. More...
doublereal | m_p0
double | m_h0_RT
| Dimensionless enthalpy at the (mtlast, m_p0) More...
double | m_cp0_R
| Dimensionless heat capacity at the (mtlast, m_p0) More...
double | m_s0_R
| Dimensionless entropy at the (mtlast, m_p0) More...
Protected Attributes inherited from ThermoPhase
MultiSpeciesThermo | m_spthermo
| Pointer to the calculation manager for species reference-state thermodynamic properties. More...
AnyMap | m_input
| Data supplied via setParameters. 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...
bool | m_chargeNeutralityNecessary
| Boolean indicating whether a charge neutrality condition is a necessity. More...
int | m_ssConvention
| Contains the standard state convention. 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_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...
bool | m_caseSensitiveSpecies
| Flag determining whether case sensitive species names are enforced. More...

## Detailed Description

Class for single-component water.

This is designed to cover just the liquid and supercritical phases of water.

The reference is W. Wagner, A. Pruss, "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.

## XML Example

Note: The XML input format is deprecated and will be removed in Cantera 3.0

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>
Cantera::Phase::temperature
doublereal temperature() const
Temperature (K).
Definition: Phase.h:654
Cantera::WaterSSTP::pressure
virtual doublereal pressure() const
Return the thermodynamic pressure (Pa).
Definition: WaterSSTP.cpp:259

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

Definition at line 91 of file WaterSSTP.h.

## Constructor & Destructor Documentation

## ◆ WaterSSTP() [1/2]

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 18 of file WaterSSTP.cpp.

References ThermoPhase::initThermoFile().

## ◆ WaterSSTP() [2/2]

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

Deprecated:
  The XML input format is deprecated and will be removed in Cantera 3.0.

Definition at line 28 of file WaterSSTP.cpp.

References Cantera::importPhase().

## Member Function Documentation

## ◆ type()

virtual std::string type | ( |  | ) | const
| inline virtual

String indicating the thermodynamic model implemented.

Usually corresponds to the name of the derived class, less any suffixes such as "Phase", TP", "VPSS", etc.

Reimplemented from SingleSpeciesTP.

Definition at line 112 of file WaterSSTP.h.

## ◆ phaseOfMatter()

std::string phaseOfMatter | ( |  | ) | const
| virtual

String indicating the mechanical phase of the matter in this Phase.

Options for the string are:

- `unspecified`
- `supercritical`
- `gas`
- `liquid`
- `solid`
- `solid-liquid-mix`
- `solid-gas-mix`
- `liquid-gas-mix`
- `solid-liquid-gas-mix`

`unspecified` is the default and should be used when the Phase does not distinguish between mechanical phases or does not have enough information to determine which mechanical phase(s) are present.

Todo:
  Needs to be implemented for all phase types. Currently only implemented for PureFluidPhase.

Reimplemented from ThermoPhase.

Definition at line 38 of file WaterSSTP.cpp.

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

## ◆ cv_mole()

doublereal cv_mole | ( |  | ) | const
| virtual

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

Reimplemented from SingleSpeciesTP.

Definition at line 147 of file WaterSSTP.cpp.

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

## ◆ pressure()

doublereal pressure | ( |  | ) | const
| virtual

Return the thermodynamic pressure (Pa).

This method must be overloaded in derived classes. Within Cantera, the independent variable is either density or pressure. If the state is defined by temperature, density, and mass fractions, this method should use these values to implement the mechanical equation of state \( P(T, \rho, Y_1, \dots, Y_K) \). Alternatively, it returns a stored value.

Reimplemented from Phase.

Definition at line 259 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().

## ◆ setPressure()

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 either density or pressure. Therefore, this function may either solve for the density that will yield the desired input pressure or set an independent variable. The temperature and composition are held constant during this process.

Parameters

  p | input Pressure (Pa)

Reimplemented from Phase.

Definition at line 264 of file WaterSSTP.cpp.

## ◆ isothermalCompressibility()

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 288 of file WaterSSTP.cpp.

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

## ◆ thermalExpansionCoeff()

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 293 of file WaterSSTP.cpp.

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

## ◆ dthermalExpansionCoeffdT()

doublereal dthermalExpansionCoeffdT | ( |  | ) | const
| virtual

Return the derivative of the volumetric thermal expansion coefficient.

Units: 1/K2.

Definition at line 298 of file WaterSSTP.cpp.

References Phase::density(), and WaterSSTP::pressure().

## ◆ getStandardChemPotentials()

void getStandardChemPotentials | ( | doublereal * | mu | ) | const
| virtual

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.

These are the standard state chemical potentials \( \mu^0_k(T,P) \). The values are evaluated at the current temperature and pressure of the solution

Parameters

  mu | Output vector of chemical potentials. Length: m_kk.

Reimplemented from ThermoPhase.

Definition at line 133 of file WaterSSTP.cpp.

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

## ◆ getGibbs_RT()

void getGibbs_RT | ( | doublereal * | grt | ) | const
| virtual

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

Parameters

  grt | Output vector of nondimensional standard state Gibbs free energies. Length: m_kk.

Reimplemented from ThermoPhase.

Definition at line 125 of file WaterSSTP.cpp.

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

## ◆ getEnthalpy_RT()

void getEnthalpy_RT | ( | doublereal * | hrt | ) | const
| virtual

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

Parameters

  hrt | Output vector of nondimensional standard state enthalpies. Length: m_kk.

Reimplemented from ThermoPhase.

Definition at line 110 of file WaterSSTP.cpp.

References WaterPropsIAPWS::enthalpy(), WaterSSTP::EW_Offset, WaterSSTP::m_sub, and ThermoPhase::RT().

## ◆ getEntropy_R()

void getEntropy_R | ( | doublereal * | sr | ) | const
| virtual

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

Parameters

  sr | Output vector of nondimensional standard state entropies. Length: m_kk.

Reimplemented from ThermoPhase.

Definition at line 120 of file WaterSSTP.cpp.

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

## ◆ getCp_R()

void getCp_R | ( | doublereal * | cpr | ) | const
| virtual

Get the nondimensional Heat Capacities at constant pressure for the species standard states at the current T and P of the solution.

Parameters

  cpr | Output vector of nondimensional standard state heat capacities. Length: m_kk.

Reimplemented from ThermoPhase.

Definition at line 142 of file WaterSSTP.cpp.

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

## ◆ getIntEnergy_RT()

void getIntEnergy_RT | ( | doublereal * | urt | ) | const
| virtual

Returns the vector of nondimensional Internal Energies of the standard state species at the current T and P of the solution.

Parameters

  urt | output vector of nondimensional standard state internal energies of the species. Length: m_kk.

Reimplemented from ThermoPhase.

Definition at line 115 of file WaterSSTP.cpp.

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

## ◆ getEnthalpy_RT_ref()

void getEnthalpy_RT_ref | ( | doublereal * | hrt | ) | const
| virtual

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

Reimplemented from SingleSpeciesTP.

Definition at line 152 of file WaterSSTP.cpp.

References WaterSSTP::pressure().

## ◆ getGibbs_RT_ref()

void getGibbs_RT_ref | ( | doublereal * | grt | ) | const
| virtual

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.

Parameters

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

Reimplemented from SingleSpeciesTP.

Definition at line 171 of file WaterSSTP.cpp.

References WaterSSTP::pressure().

Referenced by WaterSSTP::getGibbs_ref().

## ◆ 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.

Parameters

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

Reimplemented from SingleSpeciesTP.

Definition at line 191 of file WaterSSTP.cpp.

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

## ◆ getEntropy_R_ref()

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 199 of file WaterSSTP.cpp.

References WaterSSTP::pressure().

## ◆ getCp_R_ref()

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 221 of file WaterSSTP.cpp.

References WaterSSTP::pressure().

## ◆ getStandardVolumes_ref()

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 241 of file WaterSSTP.cpp.

References WaterSSTP::pressure().

## ◆ critTemperature()

doublereal critTemperature | ( |  | ) | const
| virtual

Critical temperature (K).

Reimplemented from ThermoPhase.

Definition at line 315 of file WaterSSTP.cpp.

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

## ◆ critPressure()

doublereal critPressure | ( |  | ) | const
| virtual

Critical pressure (Pa).

Reimplemented from ThermoPhase.

Definition at line 320 of file WaterSSTP.cpp.

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

## ◆ critDensity()

doublereal critDensity | ( |  | ) | const
| virtual

Critical density (kg/m3).

Reimplemented from ThermoPhase.

Definition at line 325 of file WaterSSTP.cpp.

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

## ◆ satPressure()

doublereal satPressure | ( | doublereal | t | ) |
| virtual

Return the saturation pressure given the temperature.

Parameters

  t | Temperature (Kelvin)

Reimplemented from ThermoPhase.

Definition at line 347 of file WaterSSTP.cpp.

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

## ◆ compatibleWithMultiPhase()

virtual bool compatibleWithMultiPhase | ( |  | ) | const
| inline virtual

Indicates whether this phase type can be used with class MultiPhase for equilibrium calculations.

Returns `false` for special phase types which already represent multi-phase mixtures, namely PureFluidPhase.

Reimplemented from ThermoPhase.

Definition at line 170 of file WaterSSTP.h.

## ◆ vaporFraction()

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 355 of file WaterSSTP.cpp.

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

## ◆ setTemperature()

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 330 of file WaterSSTP.cpp.

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

## ◆ setDensity()

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 341 of file WaterSSTP.cpp.

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

## ◆ initThermo()

void initThermo | ( |  | ) |
| virtual

Initialize the ThermoPhase object after all species have been set up.

Initialize.

This method is provided to allow subclasses to perform any initialization required after all species have been added. For example, it might be used to resize internal work arrays that must have an entry for each species. The base class implementation does nothing, and subclasses that do not require initialization do not need to overload this method. Derived classes which do override this function should call their parent class's implementation of this function as their last action.

When importing a CTML phase description, this method is called from initThermoXML(), which is called from importPhase(), just prior to returning from function importPhase().

When importing from an AnyMap phase description (or from a YAML file), this method is responsible for setting model parameters from the data stored in m_input.

Reimplemented from ThermoPhase.

Definition at line 45 of file WaterSSTP.cpp.

References Phase::atomicWeight(), Phase::elementIndex(), ThermoPhase::initThermo(), WaterSSTP::m_mw, Cantera::npos, and Phase::setMolecularWeight().

## ◆ setParametersFromXML()

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.

Deprecated:
  The XML input format is deprecated and will be removed in Cantera 3.0.

Reimplemented from ThermoPhase.

Definition at line 105 of file WaterSSTP.cpp.

References XML_Node::_require().

## ◆ getWater()

WaterPropsIAPWS * getWater | ( |  | ) |
| inline

Get a pointer to a changeable WaterPropsIAPWS object.

Definition at line 204 of file WaterSSTP.h.

References WaterSSTP::m_sub.

## ◆ getWaterProps()

WaterProps * getWaterProps | ( |  | ) |
| inline

Get a pointer to a changeable WaterPropsIAPWS object.

Definition at line 209 of file WaterSSTP.h.

References WaterSSTP::m_waterProps.

## ◆ _allowGasPhase()

void _allowGasPhase | ( | bool | flag | ) |
| inline

Switch that enables calculations in the gas phase.

Since this phase represents a liquid (or supercritical) phase, it is an error to return a gas-phase answer. The sole intended use for this member function is to check the thermodynamic consistency of the underlying WaterProps class with ideal-gas thermo functions.

Definition at line 220 of file WaterSSTP.h.

References WaterSSTP::m_allowGasPhase.

## ◆ _updateThermo()

void _updateThermo | ( |  | ) | const
| protected

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

## Member Data Documentation

## ◆ m_sub

WaterPropsIAPWS m_sub
| mutable private

WaterPropsIAPWS that calculates the real properties of water.

Definition at line 231 of file WaterSSTP.h.

Referenced by WaterSSTP::critDensity(), WaterSSTP::critPressure(), WaterSSTP::critTemperature(), WaterSSTP::cv_mole(), WaterSSTP::getCp_R(), WaterSSTP::getEnthalpy_RT(), WaterSSTP::getEntropy_R(), WaterSSTP::getGibbs_RT(), WaterSSTP::getIntEnergy_RT(), WaterSSTP::getStandardChemPotentials(), WaterSSTP::getWater(), WaterSSTP::isothermalCompressibility(), WaterSSTP::phaseOfMatter(), WaterSSTP::pressure(), WaterSSTP::satPressure(), WaterSSTP::setDensity(), WaterSSTP::setTemperature(), WaterSSTP::thermalExpansionCoeff(), and WaterSSTP::vaporFraction().

## ◆ m_waterProps

std::unique_ptr<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 239 of file WaterSSTP.h.

Referenced by WaterSSTP::getWaterProps().

## ◆ m_mw

doublereal m_mw
| private

Molecular weight of Water -> Cantera assumption.

Definition at line 242 of file WaterSSTP.h.

Referenced by WaterSSTP::initThermo().

## ◆ EW_Offset

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 249 of file WaterSSTP.h.

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

## ◆ SW_Offset

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 256 of file WaterSSTP.h.

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

## ◆ m_ready

bool m_ready
| private

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

Definition at line 259 of file WaterSSTP.h.

Referenced by WaterSSTP::getGibbs_RT(), and WaterSSTP::getStandardChemPotentials().

## ◆ m_allowGasPhase

bool m_allowGasPhase
| private

Since this phase represents a liquid (or supercritical) phase, it is 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 267 of file WaterSSTP.h.

Referenced by WaterSSTP::_allowGasPhase().

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

- WaterSSTP.h
- WaterSSTP.cpp