Class for the liquid water pressure dependent standard state. More...

#include <PDSS_Water.h>

Inheritance diagram for PDSS_Water:

Collaboration diagram for PDSS_Water:

Public Member Functions
Constructors
	PDSS_Water ()
	Bare constructor.

	PDSS_Water (VPStandardStateTP *tp, int spindex)
	Constructor that initializes the object by examining the XML entries from the ThermoPhase object.

	PDSS_Water (const PDSS_Water &b)
	Copy Constructor.

PDSS_Water &	operator= (const PDSS_Water &b)
	Assignment operator.

	PDSS_Water (VPStandardStateTP *tp, int spindex, std::string inputFile, std::string id="")
	Constructor that initializes the object by examining the input file of the variable pressure ThermoPhase object.

	PDSS_Water (VPStandardStateTP *tp, int spindex, const XML_Node &speciesNode, const XML_Node &phaseRef, bool spInstalled)
	Constructor that initializes the object by examining the input file of the variable pressure ThermoPhase object.

virtual	~PDSS_Water ()
	Destructor.

virtual PDSS *	duplMyselfAsPDSS () const
	Duplication routine for objects which inherit from PDSS.

Molar Thermodynamic Properties of the Species Standard State
in the Solution
virtual doublereal	enthalpy_mole () const
	Return the molar enthalpy in units of J kmol-1.

virtual doublereal	intEnergy_mole () const
	Return the molar internal Energy in units of J kmol-1.

virtual doublereal	entropy_mole () const
	Return the molar entropy in units of J kmol-1 K-1.

virtual doublereal	gibbs_mole () const
	Return the molar gibbs free energy in units of J kmol-1.

virtual doublereal	cp_mole () const
	Return the molar const pressure heat capacity in units of J kmol-1 K-1.

virtual doublereal	cv_mole () const
	Return the molar const volume heat capacity in units of J kmol-1 K-1.

virtual doublereal	molarVolume () const
	Return the molar volume at standard state.

virtual doublereal	density () const
	Return the standard state density at standard state.

Properties of the Reference State of the Species
in the Solution
doublereal	pref_safe (doublereal temp) const
	Returns a reference pressure value that can be safely calculated by the underlying real equation of state for water.

virtual doublereal	gibbs_RT_ref () const
	Return the molar gibbs free energy divided by RT at reference pressure.

virtual doublereal	enthalpy_RT_ref () const
	Return the molar enthalpy divided by RT at reference pressure.

virtual doublereal	entropy_R_ref () const
	Return the molar entropy divided by R at reference pressure.

virtual doublereal	cp_R_ref () const
	Return the molar heat capacity divided by R at reference pressure.

virtual doublereal	molarVolume_ref () const
	Return the molar volume at reference pressure.

Mechanical Equation of State Properties
virtual doublereal	pressure () const
	Report the current pressure used in the object.

virtual void	setPressure (doublereal pres)
	Set the pressure internally.

virtual void	setTemperature (doublereal temp)
	Set the internal temperature.

virtual void	setState_TP (doublereal temp, doublereal pres)
	Set the temperature and pressure in the object.

virtual void	setState_TR (doublereal temp, doublereal rho)
	Set the temperature and density in the object.

void	setDensity (doublereal dens)
	Set the density of the water phase.

virtual doublereal	thermalExpansionCoeff () const
	Return the volumetric thermal expansion coefficient. Units: 1/K.

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

virtual doublereal	isothermalCompressibility () const
	Returns the isothermal compressibility. Units: 1/Pa.

Miscellaneous properties of the standard state
virtual doublereal	critTemperature () const
	critical temperature

virtual doublereal	critPressure () const
	critical pressure

virtual doublereal	critDensity () const
	critical density

virtual doublereal	satPressure (doublereal t)
	Return the saturation pressure at a given temperature.

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

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

Initialization of the Object
void	constructSet ()
	Internal routine that initializes the underlying water model.

void	constructPDSSFile (VPStandardStateTP *vptp_ptr, int spindex, std::string inputFile, std::string id)
	Initialization of a PDSS object using an input XML file.

void	constructPDSSXML (VPStandardStateTP *vptp_ptr, int spindex, const XML_Node &phaseNode, std::string id)
	Initialization of a PDSS object using an xml tree.

virtual void	initThermo ()
	Initialization routine for all of the shallow pointers.

virtual void	initThermoXML (const XML_Node &phaseNode, std::string &id)
	Initialization routine for the PDSS object based on the phaseNode.

Utilities
PDSS_enumType	reportPDSSType () const
	Returns the type of the standard state parameterization.

Molar Thermodynamic Properties of the Species Standard State
in the Solution
virtual doublereal	enthalpy_RT () const
	Return the standard state molar enthalpy divided by RT.

virtual doublereal	entropy_R () const
	Return the standard state entropy divided by RT.

virtual doublereal	gibbs_RT () const
	Return the molar gibbs free energy divided by RT.

virtual doublereal	cp_R () const
	Return the molar const pressure heat capacity divided by RT.

virtual doublereal	enthalpyDelp_mole () const
	Get the difference in the standard state enthalpy between the current pressure and the reference pressure, p0.

virtual doublereal	entropyDelp_mole () const
	Get the difference in the standard state entropy between the current pressure and the reference pressure, p0.

virtual doublereal	gibbsDelp_mole () const
	Get the difference in the standard state gibbs free energy between the current pressure and the reference pressure, p0.

virtual doublereal	cpDelp_mole () const
	Get the difference in standard state heat capacity between the current pressure and the reference pressure, p0.

Properties of the Reference State of the Species
in the Solution
doublereal	refPressure () const
	Return the reference pressure for this phase.

doublereal	minTemp () const
	return the minimum temperature

doublereal	maxTemp () const
	return the minimum temperature

Partial Molar Properties of the Solution -----------------
doublereal	temperature () const
	Return the current stored temperature.

Miscellaneous properties of the standard state
doublereal	molecularWeight () const
	Return the molecular weight of the species in units of kg kmol-1.

void	setMolecularWeight (doublereal mw)
	Set the molecular weight of the species.

Initialization of the Object
virtual void	reportParams (size_t &kindex, int &type, doublereal *const c, doublereal &minTemp, doublereal &maxTemp, doublereal &refPressure) const
	This utility function reports back the type of parameterization and all of the parameters for the species, index.

virtual void	initAllPtrs (VPStandardStateTP vptp_ptr, VPSSMgr vpssmgr_ptr, SpeciesThermo *spthermo_ptr)
	Initialize or Reinitialize all shallow pointers in the object.

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

Protected Attributes
PDSS_enumType	m_pdssType
	Enumerated type describing the type of the PDSS object.

doublereal	m_temp
	Current temperature used by the PDSS object.

doublereal	m_pres
	State of the system - pressure.

doublereal	m_p0
	Reference state pressure of the species.

doublereal	m_minTemp
	Minimum temperature.

doublereal	m_maxTemp
	Maximum temperature.

VPStandardStateTP *	m_tp
	Thermophase which this species belongs to.

VPSSMgr *	m_vpssmgr_ptr
	Pointer to the VPSS manager for this object.

doublereal	m_mw
	Molecular Weight of the species.

size_t	m_spindex
	Species index in the thermophase corresponding to this species.

SpeciesThermo *	m_spthermo
	Pointer to the species thermodynamic property manager.

doublereal *	m_h0_RT_ptr
	Reference state enthalpy divided by RT.

doublereal *	m_cp0_R_ptr
	Reference state heat capacity divided by R.

doublereal *	m_s0_R_ptr
	Reference state entropy divided by R.

doublereal *	m_g0_RT_ptr
	Reference state gibbs free energy divided by RT.

doublereal *	m_V0_ptr
	Reference state molar volume (m3 kg-1)

doublereal *	m_hss_RT_ptr
	Standard state enthalpy divided by RT.

doublereal *	m_cpss_R_ptr
	Standard state heat capacity divided by R.

doublereal *	m_sss_R_ptr
	Standard state entropy divided by R.

doublereal *	m_gss_RT_ptr
	Standard state gibbs free energy divided by RT.

doublereal *	m_Vss_ptr
	Standard State molar volume (m3 kg-1)

Private Attributes
WaterPropsIAPWS *	m_sub
	Pointer to the WaterPropsIAPWS object, which does the actual calculations for the real equation of state.

WaterProps *	m_waterProps
	Pointer to the WaterProps object.

doublereal	m_dens
	State of the system - density.

int	m_iState
	state of the fluid

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

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

bool	m_verbose
	Verbose flag - used?

Detailed Description

Class for the liquid water pressure dependent standard state.

Notes: Base state for thermodynamic properties:

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

Delta_Hfo_gas(298.15) = -241.826 kJ/gmol So_gas(298.15, 1bar) = 188.835 J/gmolK

    (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)

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.

Definition at line 58 of file PDSS_Water.h.

Constructor & Destructor Documentation

PDSS_Water ( )

Bare constructor.

Basic list of constructors and duplicators.

eliminate?

Definition at line 30 of file PDSS_Water.cpp.

References PDSS_Water::constructSet(), PDSS::m_maxTemp, PDSS::m_minTemp, PDSS::m_pdssType, PDSS::m_spthermo, PDSS_Water::m_sub, and PDSS_Water::m_waterProps.

Referenced by PDSS_Water::duplMyselfAsPDSS().

PDSS_Water	(	VPStandardStateTP *	tp,
		int	spindex
	)

Constructor that initializes the object by examining the XML entries from the ThermoPhase object.

This function calls the constructPDSS member function.

Parameters

tp	Pointer to the ThermoPhase object pertaining to the phase
spindex	Species index of the species in the phase

Definition at line 50 of file PDSS_Water.cpp.

References PDSS_Water::constructSet(), PDSS::m_maxTemp, PDSS::m_minTemp, PDSS::m_pdssType, PDSS::m_spthermo, PDSS_Water::m_sub, and PDSS_Water::m_waterProps.

PDSS_Water ( const PDSS_Water & b )

Copy Constructor.

Parameters

b	object to be copied

Definition at line 118 of file PDSS_Water.cpp.

References PDSS_Water::m_sub.

PDSS_Water	(	VPStandardStateTP *	tp,
		int	spindex,
		std::string	inputFile,
		std::string	id = `""`
	)

Constructor that initializes the object by examining the input file of the variable pressure ThermoPhase object.

This function calls the constructPDSSFile member function.

Parameters

tp	Pointer to the variable pressure ThermoPhase object pertaining to the phase
spindex	Species index of the species in the phase
inputFile	String name of the input file
id	String name of the phase in the input file. The default is the empty string, in which case the first phase in the file is used.

Definition at line 71 of file PDSS_Water.cpp.

References PDSS_Water::constructPDSSFile(), PDSS::m_maxTemp, PDSS::m_minTemp, PDSS::m_pdssType, PDSS::m_spthermo, PDSS_Water::m_sub, and PDSS_Water::m_waterProps.

PDSS_Water	(	VPStandardStateTP *	tp,
		int	spindex,
		const XML_Node &	speciesNode,
		const XML_Node &	phaseRef,
		bool	spInstalled
	)

Constructor that initializes the object by examining the input file of the variable pressure ThermoPhase object.

This function calls the constructPDSSXML member function.

Parameters

tp	Pointer to the ThermoPhase object pertaining to the phase
spindex	Species index of the species in the phase
speciesNode	Reference to the species XML tree.
phaseRef	Reference to the XML tree containing the phase information.
spInstalled	Is the species already installed.

Definition at line 92 of file PDSS_Water.cpp.

References PDSS_Water::constructPDSSXML(), PDSS_Water::initThermo(), PDSS::m_maxTemp, PDSS::m_minTemp, PDSS::m_pdssType, PDSS::m_spthermo, PDSS_Water::m_sub, and PDSS_Water::m_waterProps.

~PDSS_Water ( )

virtual

Destructor.

Definition at line 170 of file PDSS_Water.cpp.

References PDSS_Water::m_sub, and PDSS_Water::m_waterProps.

Member Function Documentation

PDSS_Water & operator= ( const PDSS_Water & b )

Assignment operator.

Parameters

b	Object to be copied

Definition at line 140 of file PDSS_Water.cpp.

References PDSS_Water::EW_Offset, PDSS_Water::m_allowGasPhase, PDSS_Water::m_dens, PDSS_Water::m_iState, PDSS_Water::m_sub, PDSS_Water::m_verbose, PDSS_Water::m_waterProps, PDSS::operator=(), and PDSS_Water::SW_Offset.

PDSS * duplMyselfAsPDSS ( ) const

virtual

Duplication routine for objects which inherit from PDSS.

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

Returns: returns a pointer to the base PDSS object type

Reimplemented from PDSS.

Definition at line 176 of file PDSS_Water.cpp.

References PDSS_Water::PDSS_Water().

doublereal enthalpy_mole ( ) const

virtual

Return the molar enthalpy in units of J kmol-1.

Returns the species standard state enthalpy in J kmol-1 at the current temperature and pressure.

Returns: returns the species standard state enthalpy in J kmol-1

Reimplemented from PDSS.

Definition at line 317 of file PDSS_Water.cpp.

References WaterPropsIAPWS::enthalpy(), PDSS_Water::EW_Offset, and PDSS_Water::m_sub.

Referenced by VPSSMgr_Water_ConstVol::_updateRefStateThermo(), VPSSMgr_Water_HKFT::_updateRefStateThermo(), VPSSMgr_Water_ConstVol::_updateStandardStateThermo(), VPSSMgr_Water_HKFT::_updateStandardStateThermo(), PDSS_Water::constructSet(), and VPSSMgr_Water_ConstVol::getEnthalpy_RT_ref().

doublereal intEnergy_mole ( ) const

virtual

Return the molar internal Energy in units of J kmol-1.

Returns the species standard state internal Energy in J kmol-1 at the current temperature and pressure.

Returns: returns the species standard state internal Energy in J kmol-1

Reimplemented from PDSS.

Definition at line 323 of file PDSS_Water.cpp.

References PDSS_Water::EW_Offset, WaterPropsIAPWS::intEnergy(), and PDSS_Water::m_sub.

doublereal entropy_mole ( ) const

virtual

Return the molar entropy in units of J kmol-1 K-1.

Returns the species standard state entropy in J kmol-1 K-1 at the current temperature and pressure.

Returns: returns the species standard state entropy in J kmol-1 K-1

Reimplemented from PDSS.

Definition at line 329 of file PDSS_Water.cpp.

References WaterPropsIAPWS::entropy(), PDSS_Water::m_sub, and PDSS_Water::SW_Offset.

Referenced by VPSSMgr_Water_ConstVol::_updateRefStateThermo(), VPSSMgr_Water_HKFT::_updateRefStateThermo(), VPSSMgr_Water_ConstVol::_updateStandardStateThermo(), VPSSMgr_Water_HKFT::_updateStandardStateThermo(), PDSS_Water::constructSet(), and VPSSMgr_Water_ConstVol::getEntropy_R_ref().

doublereal gibbs_mole ( ) const

virtual

Return the molar gibbs free energy in units of J kmol-1.

Returns the species standard state gibbs free energy in J kmol-1 at the current temperature and pressure.

Returns: returns the species standard state gibbs free energy in J kmol-1

Reimplemented from PDSS.

Definition at line 335 of file PDSS_Water.cpp.

References PDSS_Water::EW_Offset, WaterPropsIAPWS::Gibbs(), PDSS_Water::m_sub, PDSS::m_temp, and PDSS_Water::SW_Offset.

Referenced by VPSSMgr_Water_ConstVol::getGibbs_RT_ref().

doublereal cp_mole ( ) const

virtual

Return the molar const pressure heat capacity in units of J kmol-1 K-1.

Returns the species standard state Cp in J kmol-1 K-1 at the current temperature and pressure.

Returns: returns the species standard state Cp in J kmol-1 K-1

Reimplemented from PDSS.

Definition at line 341 of file PDSS_Water.cpp.

References ckr::cp(), WaterPropsIAPWS::cp(), and PDSS_Water::m_sub.

Referenced by VPSSMgr_Water_ConstVol::_updateRefStateThermo(), VPSSMgr_Water_HKFT::_updateRefStateThermo(), VPSSMgr_Water_ConstVol::_updateStandardStateThermo(), VPSSMgr_Water_HKFT::_updateStandardStateThermo(), and VPSSMgr_Water_ConstVol::getCp_R_ref().

doublereal cv_mole ( ) const

virtual

Return the molar const volume heat capacity in units of J kmol-1 K-1.

Returns the species standard state Cv in J kmol-1 K-1 at the current temperature and pressure.

Returns: returns the species standard state Cv in J kmol-1 K-1

Reimplemented from PDSS.

Definition at line 347 of file PDSS_Water.cpp.

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

doublereal molarVolume ( ) const

virtual

Return the molar volume at standard state.

Returns the species standard state molar volume at the current temperature and pressure

Returns: returns the standard state molar volume divided by R units are m**3 kmol-1.

Reimplemented from PDSS.

Definition at line 353 of file PDSS_Water.cpp.

References PDSS_Water::m_sub, and WaterPropsIAPWS::molarVolume().

doublereal density ( ) const

virtual

Return the standard state density at standard state.

Returns the species standard state density at the current temperature and pressure

Returns: returns the standard state density units are kg m-3

Reimplemented from PDSS.

Definition at line 514 of file PDSS_Water.cpp.

References PDSS_Water::m_dens.

Referenced by VPSSMgr_Water_ConstVol::_updateRefStateThermo(), VPSSMgr_Water_HKFT::_updateRefStateThermo(), VPSSMgr_Water_ConstVol::_updateStandardStateThermo(), VPSSMgr_Water_HKFT::_updateStandardStateThermo(), DebyeHuckel::calcDensity(), PDSS_HKFT::g(), VPSSMgr_Water_ConstVol::getStandardVolumes_ref(), PDSS_HKFT::initThermo(), VPSSMgr_Water_ConstVol::initThermoXML(), VPSSMgr_Water_HKFT::initThermoXML(), and DebyeHuckel::initThermoXML().

doublereal pref_safe ( doublereal temp ) const

Returns a reference pressure value that can be safely calculated by the underlying real equation of state for water.

Note, this function is needed because trying to calculate a one atm value around the critical point will cause a crash

Parameters

temp	Temperature (Kelvin)

Definition at line 539 of file PDSS_Water.cpp.

References PDSS_Water::m_sub, Cantera::OneAtm, WaterPropsIAPWS::Pcrit(), and WaterPropsIAPWS::psat_est().

Referenced by VPSSMgr_Water_ConstVol::_updateRefStateThermo(), VPSSMgr_Water_HKFT::_updateRefStateThermo(), PDSS_HKFT::cp_R_ref(), PDSS_HKFT::enthalpy_RT_ref(), PDSS_HKFT::entropy_R_ref(), VPSSMgr_Water_ConstVol::getCp_R_ref(), VPSSMgr_Water_ConstVol::getEnthalpy_RT_ref(), VPSSMgr_Water_ConstVol::getEntropy_R_ref(), VPSSMgr_Water_ConstVol::getGibbs_RT_ref(), VPSSMgr_Water_ConstVol::getStandardVolumes_ref(), PDSS_HKFT::gibbs_RT_ref(), and PDSS_HKFT::molarVolume_ref().

doublereal gibbs_RT_ref ( ) const

virtual

Return the molar gibbs free energy divided by RT at reference pressure.

Returns the species reference state gibbs free energy divided by RT at the current temperature.

Returns: returns the reference state gibbs free energy divided by RT

Reimplemented from PDSS.

Definition at line 359 of file PDSS_Water.cpp.

References WaterPropsIAPWS::density(), WaterPropsIAPWS::enthalpy(), PDSS_Water::EW_Offset, Cantera::GasConstant, PDSS_Water::m_dens, PDSS::m_p0, PDSS_Water::m_sub, PDSS::m_temp, WaterPropsIAPWS::setState_TR(), and PDSS_Water::SW_Offset.

doublereal enthalpy_RT_ref ( ) const

virtual

Return the molar enthalpy divided by RT at reference pressure.

Returns the species reference state enthalpy divided by RT at the current temperature.

Returns: returns the reference state enthalpy divided by RT

Reimplemented from PDSS.

Definition at line 368 of file PDSS_Water.cpp.

References WaterPropsIAPWS::density(), WaterPropsIAPWS::enthalpy(), PDSS_Water::EW_Offset, Cantera::GasConstant, PDSS_Water::m_dens, PDSS::m_p0, PDSS_Water::m_sub, PDSS::m_temp, and WaterPropsIAPWS::setState_TR().

doublereal entropy_R_ref ( ) const

virtual

Return the molar entropy divided by R at reference pressure.

Returns the species reference state entropy divided by R at the current temperature.

Returns: returns the reference state entropy divided by R

Reimplemented from PDSS.

Definition at line 377 of file PDSS_Water.cpp.

References WaterPropsIAPWS::density(), WaterPropsIAPWS::entropy(), Cantera::GasConstant, PDSS_Water::m_dens, PDSS::m_p0, PDSS_Water::m_sub, PDSS::m_temp, WaterPropsIAPWS::setState_TR(), and PDSS_Water::SW_Offset.

doublereal cp_R_ref ( ) const

virtual

Return the molar heat capacity divided by R at reference pressure.

Returns the species reference state heat capacity divided by R at the current temperature.

Returns: returns the reference state heat capacity divided by R

Reimplemented from PDSS.

Definition at line 386 of file PDSS_Water.cpp.

References ckr::cp(), WaterPropsIAPWS::cp(), WaterPropsIAPWS::density(), Cantera::GasConstant, PDSS_Water::m_dens, PDSS::m_p0, PDSS_Water::m_sub, PDSS::m_temp, and WaterPropsIAPWS::setState_TR().

doublereal molarVolume_ref ( ) const

virtual

Return the molar volume at reference pressure.

Returns the species reference state molar volume at the current temperature.

Returns: returns the reference state molar volume divided by R units are m**3 kmol-1.

Reimplemented from PDSS.

Definition at line 395 of file PDSS_Water.cpp.

References WaterPropsIAPWS::density(), PDSS_Water::m_dens, PDSS::m_p0, PDSS_Water::m_sub, PDSS::m_temp, WaterPropsIAPWS::molarVolume(), and WaterPropsIAPWS::setState_TR().

doublereal pressure ( ) const

virtual

Report the current pressure used in the object.

Calculate the pressure (Pascals), given the temperature and density Temperature: kelvin rho: density in kg m-3.

Returns: Returns the pressure (Pascal)

Reimplemented from PDSS.

Definition at line 410 of file PDSS_Water.cpp.

References PDSS::m_pres, PDSS_Water::m_sub, and WaterPropsIAPWS::pressure().

Referenced by PDSS_Water::dthermalExpansionCoeffdT().

void setPressure ( doublereal pres )

virtual

Set the pressure internally.

Parameters

pres	Value of the pressure (Pascals)

Reimplemented from PDSS.

Definition at line 420 of file PDSS_Water.cpp.

References WaterPropsIAPWS::density(), Cantera::fp2str(), PDSS_Water::m_allowGasPhase, PDSS_Water::m_dens, PDSS_Water::m_iState, PDSS::m_pres, PDSS_Water::m_sub, PDSS::m_temp, WaterPropsIAPWS::phaseState(), and WaterPropsIAPWS::Tcrit().

Referenced by PDSS_Water::setState_TP().

void setTemperature ( doublereal temp )

virtual

Set the internal temperature.

Parameters

temp	Temperature (Kelvin)

Reimplemented from PDSS.

Definition at line 519 of file PDSS_Water.cpp.

References PDSS_Water::m_dens, PDSS_Water::m_sub, PDSS::m_temp, and WaterPropsIAPWS::setState_TR().

Referenced by PDSS_Water::constructSet().

void setState_TP	(	doublereal	temp,
		doublereal	pres
	)

virtual

Set the temperature and pressure in the object.

Parameters

temp	Temperature (Kelvin)
pres	Pressure (Pascal)

Reimplemented from PDSS.

Definition at line 526 of file PDSS_Water.cpp.

References PDSS::m_temp, and PDSS_Water::setPressure().

Referenced by VPSSMgr_Water_ConstVol::_updateRefStateThermo(), VPSSMgr_Water_HKFT::_updateRefStateThermo(), VPSSMgr_Water_ConstVol::_updateStandardStateThermo(), VPSSMgr_Water_HKFT::_updateStandardStateThermo(), PDSS_HKFT::g(), VPSSMgr_Water_ConstVol::getCp_R_ref(), VPSSMgr_Water_ConstVol::getEnthalpy_RT_ref(), VPSSMgr_Water_ConstVol::getEntropy_R_ref(), VPSSMgr_Water_ConstVol::getGibbs_RT_ref(), VPSSMgr_Water_ConstVol::getStandardVolumes_ref(), PDSS_HKFT::initThermo(), VPSSMgr_Water_ConstVol::initThermoXML(), VPSSMgr_Water_HKFT::initThermoXML(), and DebyeHuckel::initThermoXML().

void setState_TR	(	doublereal	temp,
		doublereal	rho
	)

virtual

Set the temperature and density in the object.

Parameters

temp	Temperature (Kelvin)
rho	Density (kg/m3)

Reimplemented from PDSS.

Definition at line 532 of file PDSS_Water.cpp.

References PDSS_Water::m_dens, PDSS_Water::m_sub, PDSS::m_temp, and WaterPropsIAPWS::setState_TR().

void setDensity ( doublereal dens )

Set the density of the water phase.

This is a non-virtual function because it specific to this object.

Parameters

dens	Density of the water (kg/m3)

Definition at line 508 of file PDSS_Water.cpp.

References PDSS_Water::m_dens, PDSS_Water::m_sub, PDSS::m_temp, and WaterPropsIAPWS::setState_TR().

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 PDSS.

Definition at line 461 of file PDSS_Water.cpp.

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

Referenced by PDSS_HKFT::g().

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 467 of file PDSS_Water.cpp.

References WaterPropsIAPWS::coeffThermExp(), WaterPropsIAPWS::density(), Cantera::fp2str(), PDSS_Water::m_dens, PDSS_Water::m_iState, PDSS_Water::m_sub, PDSS::m_temp, PDSS_Water::pressure(), and WaterPropsIAPWS::setState_TR().

Referenced by PDSS_HKFT::g().

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

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

Definition at line 484 of file PDSS_Water.cpp.

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

Referenced by PDSS_HKFT::g().

doublereal critTemperature ( ) const

virtual

critical temperature

Reimplemented from PDSS.

Definition at line 491 of file PDSS_Water.cpp.

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

doublereal critPressure ( ) const

virtual

critical pressure

Reimplemented from PDSS.

Definition at line 497 of file PDSS_Water.cpp.

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

doublereal critDensity ( ) const

virtual

critical density

Reimplemented from PDSS.

Definition at line 503 of file PDSS_Water.cpp.

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

doublereal satPressure ( doublereal t )

virtual

Return the saturation pressure at a given temperature.

Parameters

t	Temperature (Kelvin)

Reimplemented from PDSS.

Definition at line 553 of file PDSS_Water.cpp.

References WaterPropsIAPWS::density(), PDSS_Water::m_dens, PDSS_Water::m_sub, PDSS::m_temp, and WaterPropsIAPWS::psat().

WaterPropsIAPWS* getWater ( )

inline

Get a pointer to a changeable WaterPropsIAPWS object.

Definition at line 393 of file PDSS_Water.h.

References PDSS_Water::m_sub.

Referenced by WaterTransport::initTP(), and WaterProps::WaterProps().

WaterProps* getWaterProps ( )

inline

Get a pointer to a changeable WaterPropsIAPWS object.

Definition at line 398 of file PDSS_Water.h.

References PDSS_Water::m_waterProps.

Referenced by WaterTransport::initTP().

void constructSet ( )

Internal routine that initializes the underlying water model.

This routine is not virtual

Definition at line 253 of file PDSS_Water.cpp.

References WaterPropsIAPWS::density(), PDSS_Water::enthalpy_mole(), PDSS_Water::entropy_mole(), PDSS_Water::EW_Offset, Cantera::GasConstant, PDSS_Water::m_dens, PDSS::m_mw, PDSS::m_p0, PDSS::m_pres, PDSS_Water::m_sub, Cantera::OneAtm, PDSS_Water::setTemperature(), and PDSS_Water::SW_Offset.

Referenced by PDSS_Water::constructPDSSXML(), and PDSS_Water::PDSS_Water().

void constructPDSSFile	(	VPStandardStateTP *	vptp_ptr,
		int	spindex,
		std::string	inputFile,
		std::string	id
	)

Initialization of a PDSS object using an input XML file.

This routine is a precursor to constructPDSSXML(XML_Node*) routine, which does most of the work.

Parameters

vptp_ptr	Pointer to the Variable pressure ThermoPhase object This object must have already been malloced.
spindex	Species index within the phase
inputFile	XML file containing the description of the phase
id	Optional parameter identifying the name of the phase. If none is given, the first XML phase element will be used.

Definition at line 220 of file PDSS_Water.cpp.

References XML_Node::build(), PDSS_Water::constructPDSSXML(), Cantera::findInputFile(), and Cantera::findXMLPhase().

Referenced by PDSS_Water::PDSS_Water().

void constructPDSSXML	(	VPStandardStateTP *	vptp_ptr,
		int	spindex,
		const XML_Node &	phaseNode,
		std::string	id
	)

Initialization of a PDSS object using an xml tree.

This routine is a driver for the initialization of the object.

basic logic: initThermo() (cascade) getStuff from species Part of XML file initThermoXML(phaseNode) (cascade)

Parameters

vptp_ptr	Pointer to the Variable pressure ThermoPhase object This object must have already been malloced.
spindex	Species index within the phase
phaseNode	Reference to the phase Information for the phase that owns this species.
id	Optional parameter identifying the name of the phase. If none is given, the first XML phase element will be used.

Definition at line 198 of file PDSS_Water.cpp.

References PDSS_Water::constructSet().

Referenced by PDSS_Water::constructPDSSFile(), and PDSS_Water::PDSS_Water().

void initThermo ( )

virtual

Initialization routine for all of the shallow pointers.

This is a cascading call, where each level should call the the parent level.

The initThermo() routines get called before the initThermoXML() routines from the constructPDSSXML() routine.

Calls initPtrs();

Reimplemented from PDSS.

Definition at line 307 of file PDSS_Water.cpp.

References PDSS::initThermo().

Referenced by PDSS_Water::PDSS_Water().

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

virtual

Initialization routine for the PDSS object based on the phaseNode.

This is a cascading call, where each level should call the the parent level.

Parameters

phaseNode	Reference to the phase Information for the phase that owns this species.
id	Optional parameter identifying the name of the phase. If none is given, the first XML phase element will be used.

Reimplemented from PDSS.

Definition at line 312 of file PDSS_Water.cpp.

References PDSS::initThermoXML().

PDSS_enumType reportPDSSType ( ) const

inherited

Returns the type of the standard state parameterization.

Returns: Returns the integer # of the parameterization

Definition at line 194 of file PDSS.cpp.

References PDSS::m_pdssType.

Referenced by VPSSMgr_General::reportPDSSType().

doublereal enthalpy_RT ( ) const

virtualinherited

Return the standard state molar enthalpy divided by RT.

Returns the species standard state enthalpy divided by RT at the current temperature and pressure.

Returns: returns the species standard state enthalpy in unitless form

Reimplemented in PDSS_SSVol, PDSS_HKFT, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 255 of file PDSS.cpp.

References PDSS::enthalpy_mole(), Cantera::GasConstant, and PDSS::m_temp.

Referenced by VPSSMgr_General::_updateStandardStateThermo().

doublereal entropy_R ( ) const

virtualinherited

Return the standard state entropy divided by RT.

Returns the species standard state entropy divided by RT at the current temperature and pressure.

Returns: returns the species standard state entropy divided by RT

Reimplemented in PDSS_SSVol, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 287 of file PDSS.cpp.

References PDSS::entropy_mole(), and Cantera::GasConstant.

Referenced by VPSSMgr_General::_updateStandardStateThermo(), VPSSMgr_Water_HKFT::_updateStandardStateThermo(), and PDSS_HKFT::entropy_R_ref().

doublereal gibbs_RT ( ) const

virtualinherited

Return the molar gibbs free energy divided by RT.

Returns the species standard state gibbs free energy divided by RT at the current temperature and pressure.

Returns: returns the species standard state gibbs free energy divided by RT

Reimplemented in PDSS_SSVol, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 305 of file PDSS.cpp.

References Cantera::GasConstant, PDSS::gibbs_mole(), and PDSS::m_temp.

Referenced by VPSSMgr_Water_HKFT::_updateRefStateThermo(), VPSSMgr_Water_HKFT::_updateStandardStateThermo(), and PDSS_HKFT::gibbs_RT_ref().

doublereal cp_R ( ) const

virtualinherited

Return the molar const pressure heat capacity divided by RT.

Returns the species standard state Cp divided by RT at the current temperature and pressure.

Returns: returns the species standard state Cp divided by RT

Reimplemented in PDSS_SSVol, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 324 of file PDSS.cpp.

References PDSS::cp_mole(), and Cantera::GasConstant.

Referenced by VPSSMgr_Water_HKFT::_updateRefStateThermo(), VPSSMgr_General::_updateStandardStateThermo(), VPSSMgr_Water_HKFT::_updateStandardStateThermo(), and PDSS_HKFT::cp_R_ref().

doublereal enthalpyDelp_mole ( ) const

virtualinherited

Get the difference in the standard state enthalpy between the current pressure and the reference pressure, p0.

Return the difference in enthalpy between current p and ref p0, in mks units of in units of J kmol-1.

Definition at line 390 of file PDSS.cpp.

References PDSS::enthalpy_mole(), PDSS::enthalpy_RT_ref(), Cantera::GasConstant, and PDSS::m_temp.

doublereal entropyDelp_mole ( ) const

virtualinherited

Get the difference in the standard state entropy between the current pressure and the reference pressure, p0.

Return the difference in entropy between current p and ref p0, in mks units of J kmol-1 K-1.

Definition at line 403 of file PDSS.cpp.

References PDSS::entropy_mole(), PDSS::entropy_R_ref(), and Cantera::GasConstant.

doublereal gibbsDelp_mole ( ) const

virtualinherited

Get the difference in the standard state gibbs free energy between the current pressure and the reference pressure, p0.

Calculate the difference in Gibbs free energy between current p and the ref p0, in mks units of J kmol-1 K-1.

Definition at line 415 of file PDSS.cpp.

References Cantera::GasConstant, PDSS::gibbs_mole(), PDSS::gibbs_RT_ref(), and PDSS::m_temp.

doublereal cpDelp_mole ( ) const

virtualinherited

Get the difference in standard state heat capacity between the current pressure and the reference pressure, p0.

Definition at line 429 of file PDSS.cpp.

References PDSS::cp_mole(), PDSS::cp_R_ref(), and Cantera::GasConstant.

doublereal refPressure ( ) const

inlineinherited

Return the reference pressure for this phase.

Definition at line 429 of file PDSS.h.

References PDSS::m_p0.

Referenced by VPSSMgr_General::createInstallPDSS(), VPSSMgr::initThermoXML(), STITbyPDSS::refPressure(), VPSSMgr::refPressure(), and STITbyPDSS::reportParameters().

doublereal minTemp ( ) const

inlineinherited

return the minimum temperature

Definition at line 434 of file PDSS.h.

References PDSS::m_minTemp.

Referenced by VPSSMgr_General::createInstallPDSS(), VPSSMgr::initThermoXML(), STITbyPDSS::minTemp(), and VPSSMgr::minTemp().

doublereal maxTemp ( ) const

inlineinherited

return the minimum temperature

Definition at line 440 of file PDSS.h.

References PDSS::m_maxTemp.

Referenced by VPSSMgr_General::createInstallPDSS(), VPSSMgr::initThermoXML(), STITbyPDSS::maxTemp(), and VPSSMgr::maxTemp().

doublereal temperature ( ) const

inherited

Return the current stored temperature.

Return the temperature.

Obtain the temperature from the owning ThermoPhase object if you can.

Definition at line 491 of file PDSS.cpp.

References PDSS::m_temp.

doublereal molecularWeight ( ) const

inherited

Return the molecular weight of the species in units of kg kmol-1.

Definition at line 501 of file PDSS.cpp.

References PDSS::m_mw.

Referenced by DebyeHuckel::initThermoXML().

void setMolecularWeight ( doublereal mw )

inherited

Set the molecular weight of the species.

Parameters

mw	Molecular Weight in kg kmol-1

Definition at line 505 of file PDSS.cpp.

References PDSS::m_mw.

void reportParams	(	size_t &	kindex,
		int &	type,
		doublereal *const	c,
		doublereal &	minTemp,
		doublereal &	maxTemp,
		doublereal &	refPressure
	)		const

virtualinherited

This utility function reports back the type of parameterization and all of the parameters for the species, index.

Parameters

kindex	Species index
type	Integer type of the standard type
c	Vector of coefficients used to set the parameters for the standard state.
minTemp	output - Minimum temperature
maxTemp	output - Maximum temperature
refPressure	output - reference pressure (Pa).

Reimplemented in PDSS_HKFT.

Definition at line 534 of file PDSS.cpp.

References PDSS::m_maxTemp, PDSS::m_minTemp, PDSS::m_p0, PDSS::m_pdssType, and PDSS::m_spindex.

Referenced by PDSS_HKFT::reportParams().

void initAllPtrs	(	VPStandardStateTP *	vptp_ptr,
		VPSSMgr *	vpssmgr_ptr,
		SpeciesThermo *	spthermo_ptr
	)

virtualinherited

Initialize or Reinitialize all shallow pointers in the object.

This command is called to reinitialize all shallow pointers in the object. It's needed for the duplicator capability

Parameters

vptp_ptr	Pointer to the Variable pressure ThermoPhase object This object must have already been malloced.
vpssmgr_ptr	Pointer to the variable pressure standard state calculator for this phase
spthermo_ptr	Pointer to the optional SpeciesThermo object that will handle the calculation of the reference state thermodynamic coefficients.

Reimplemented in PDSS_HKFT, and PDSS_IonsFromNeutral.

Definition at line 216 of file PDSS.cpp.

References PDSS::initPtrs(), PDSS::m_spthermo, PDSS::m_tp, and PDSS::m_vpssmgr_ptr.

Referenced by PDSS_IonsFromNeutral::initAllPtrs(), PDSS_HKFT::initAllPtrs(), and VPStandardStateTP::operator=().

Member Data Documentation

WaterPropsIAPWS* m_sub

mutableprivate

Pointer to the WaterPropsIAPWS object, which does the actual calculations for the real equation of state.

This object owns m_sub

Definition at line 499 of file PDSS_Water.h.

Referenced by PDSS_Water::constructSet(), PDSS_Water::cp_mole(), PDSS_Water::cp_R_ref(), PDSS_Water::critDensity(), PDSS_Water::critPressure(), PDSS_Water::critTemperature(), PDSS_Water::cv_mole(), PDSS_Water::dthermalExpansionCoeffdT(), PDSS_Water::enthalpy_mole(), PDSS_Water::enthalpy_RT_ref(), PDSS_Water::entropy_mole(), PDSS_Water::entropy_R_ref(), PDSS_Water::getWater(), PDSS_Water::gibbs_mole(), PDSS_Water::gibbs_RT_ref(), PDSS_Water::intEnergy_mole(), PDSS_Water::isothermalCompressibility(), PDSS_Water::molarVolume(), PDSS_Water::molarVolume_ref(), PDSS_Water::operator=(), PDSS_Water::PDSS_Water(), PDSS_Water::pref_safe(), PDSS_Water::pressure(), PDSS_Water::satPressure(), PDSS_Water::setDensity(), PDSS_Water::setPressure(), PDSS_Water::setState_TR(), PDSS_Water::setTemperature(), PDSS_Water::thermalExpansionCoeff(), and PDSS_Water::~PDSS_Water().

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 509 of file PDSS_Water.h.

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

doublereal m_dens

private

State of the system - density.

Density is the independent variable here, but it's hidden behind the object's interface.

Definition at line 516 of file PDSS_Water.h.

Referenced by PDSS_Water::constructSet(), PDSS_Water::cp_R_ref(), PDSS_Water::density(), PDSS_Water::dthermalExpansionCoeffdT(), PDSS_Water::enthalpy_RT_ref(), PDSS_Water::entropy_R_ref(), PDSS_Water::gibbs_RT_ref(), PDSS_Water::molarVolume_ref(), PDSS_Water::operator=(), PDSS_Water::satPressure(), PDSS_Water::setDensity(), PDSS_Water::setPressure(), PDSS_Water::setState_TR(), and PDSS_Water::setTemperature().

int m_iState

private

state of the fluid

0 WATER_GAS 0 1 WATER_LIQUID 1 2 WATER_SUPERCRIT 2 3 WATER_UNSTABLELIQUID 3 4 WATER_UNSTABLEGAS

Definition at line 526 of file PDSS_Water.h.

Referenced by PDSS_Water::dthermalExpansionCoeffdT(), PDSS_Water::operator=(), and PDSS_Water::setPressure().

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 533 of file PDSS_Water.h.

Referenced by PDSS_Water::constructSet(), PDSS_Water::enthalpy_mole(), PDSS_Water::enthalpy_RT_ref(), PDSS_Water::gibbs_mole(), PDSS_Water::gibbs_RT_ref(), PDSS_Water::intEnergy_mole(), and PDSS_Water::operator=().

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 540 of file PDSS_Water.h.

Referenced by PDSS_Water::constructSet(), PDSS_Water::entropy_mole(), PDSS_Water::entropy_R_ref(), PDSS_Water::gibbs_mole(), PDSS_Water::gibbs_RT_ref(), and PDSS_Water::operator=().

bool m_verbose

private

Verbose flag - used?

Definition at line 543 of file PDSS_Water.h.

Referenced by PDSS_Water::operator=().

bool m_allowGasPhase

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 552 of file PDSS_Water.h.

Referenced by PDSS_Water::operator=(), and PDSS_Water::setPressure().

PDSS_enumType m_pdssType

protectedinherited

Enumerated type describing the type of the PDSS object.

Definition at line 661 of file PDSS.h.

Referenced by PDSS::operator=(), PDSS_ConstVol::PDSS_ConstVol(), PDSS_HKFT::PDSS_HKFT(), PDSS_IdealGas::PDSS_IdealGas(), PDSS_IonsFromNeutral::PDSS_IonsFromNeutral(), PDSS_SSVol::PDSS_SSVol(), PDSS_Water::PDSS_Water(), PDSS::reportParams(), and PDSS::reportPDSSType().

doublereal m_temp

mutableprotectedinherited

Current temperature used by the PDSS object.

Definition at line 664 of file PDSS.h.

Referenced by PDSS_SSVol::calcMolarVolume(), PDSS_HKFT::cp_mole(), PDSS_Water::cp_R_ref(), PDSS_HKFT::cp_R_ref(), PDSS_HKFT::deltaG(), PDSS_HKFT::deltaS(), PDSS_IdealGas::density(), PDSS_IonsFromNeutral::density(), PDSS_Water::dthermalExpansionCoeffdT(), PDSS_ConstVol::enthalpy_mole(), PDSS_IdealGas::enthalpy_mole(), PDSS_IonsFromNeutral::enthalpy_mole(), PDSS_HKFT::enthalpy_mole(), PDSS_SSVol::enthalpy_mole(), PDSS_HKFT::enthalpy_RT(), PDSS::enthalpy_RT(), PDSS_Water::enthalpy_RT_ref(), PDSS_HKFT::enthalpy_RT_ref(), PDSS::enthalpyDelp_mole(), PDSS_Water::entropy_R_ref(), PDSS_HKFT::entropy_R_ref(), PDSS_ConstVol::gibbs_mole(), PDSS_IdealGas::gibbs_mole(), PDSS_IonsFromNeutral::gibbs_mole(), PDSS_Water::gibbs_mole(), PDSS_SSVol::gibbs_mole(), PDSS::gibbs_RT(), PDSS_Water::gibbs_RT_ref(), PDSS_HKFT::gibbs_RT_ref(), PDSS::gibbsDelp_mole(), PDSS_HKFT::initThermo(), PDSS_ConstVol::intEnergy_mole(), PDSS_IdealGas::intEnergy_mole(), PDSS_IonsFromNeutral::intEnergy_mole(), PDSS_SSVol::intEnergy_mole(), PDSS_IdealGas::molarVolume(), PDSS_HKFT::molarVolume(), PDSS_IdealGas::molarVolume_ref(), PDSS_Water::molarVolume_ref(), PDSS_HKFT::molarVolume_ref(), PDSS::operator=(), PDSS_Water::satPressure(), PDSS_Water::setDensity(), PDSS_ConstVol::setPressure(), PDSS_IdealGas::setPressure(), PDSS_Water::setPressure(), PDSS_SSVol::setPressure(), PDSS_Water::setState_TP(), PDSS_IonsFromNeutral::setState_TP(), PDSS_Water::setState_TR(), PDSS_ConstVol::setTemperature(), PDSS_IdealGas::setTemperature(), PDSS_Water::setTemperature(), PDSS_HKFT::setTemperature(), PDSS_IonsFromNeutral::setTemperature(), PDSS_SSVol::setTemperature(), PDSS::setTemperature(), PDSS_IdealGas::temperature(), PDSS_HKFT::temperature(), PDSS_IonsFromNeutral::temperature(), and PDSS::temperature().

doublereal m_pres

mutableprotectedinherited

State of the system - pressure.

Definition at line 667 of file PDSS.h.

Referenced by PDSS_Water::constructSet(), PDSS_HKFT::cp_mole(), PDSS_HKFT::cp_R_ref(), PDSS_HKFT::deltaG(), PDSS_HKFT::deltaS(), PDSS_IdealGas::density(), PDSS_IonsFromNeutral::density(), PDSS_HKFT::enthalpy_mole(), PDSS_HKFT::enthalpy_RT_ref(), PDSS_IdealGas::entropy_R(), PDSS_HKFT::entropy_R_ref(), PDSS_IdealGas::gibbs_RT(), PDSS_HKFT::gibbs_RT_ref(), PDSS_HKFT::initThermo(), PDSS_ConstVol::intEnergy_mole(), PDSS_HKFT::intEnergy_mole(), PDSS_SSVol::intEnergy_mole(), PDSS_IdealGas::molarVolume(), PDSS_HKFT::molarVolume(), PDSS_HKFT::molarVolume_ref(), PDSS::operator=(), PDSS_HKFT::PDSS_HKFT(), PDSS_HKFT::pressure(), PDSS_Water::pressure(), PDSS_IonsFromNeutral::pressure(), PDSS::pressure(), PDSS_ConstVol::setPressure(), PDSS_IdealGas::setPressure(), PDSS_Water::setPressure(), PDSS_HKFT::setPressure(), PDSS_IonsFromNeutral::setPressure(), PDSS_SSVol::setPressure(), PDSS::setPressure(), PDSS_IdealGas::setState_TP(), PDSS_IonsFromNeutral::setState_TP(), PDSS_SSVol::setState_TP(), PDSS_IdealGas::setState_TR(), PDSS_ConstVol::setTemperature(), PDSS_IdealGas::setTemperature(), and PDSS_SSVol::setTemperature().

doublereal m_p0

protectedinherited

Reference state pressure of the species.

Definition at line 670 of file PDSS.h.

Referenced by PDSS_ConstVol::constructPDSSXML(), PDSS_HKFT::constructPDSSXML(), PDSS_SSVol::constructPDSSXML(), PDSS_Water::constructSet(), PDSS_Water::cp_R_ref(), PDSS_HKFT::enthalpy_mole(), PDSS_Water::enthalpy_RT_ref(), PDSS_IdealGas::entropy_R(), PDSS_Water::entropy_R_ref(), PDSS_IdealGas::gibbs_RT(), PDSS_Water::gibbs_RT_ref(), PDSS_ConstVol::initThermo(), PDSS_IdealGas::initThermo(), PDSS_IonsFromNeutral::initThermo(), PDSS_SSVol::initThermo(), PDSS_ConstVol::initThermoXML(), PDSS_SSVol::initThermoXML(), PDSS::initThermoXML(), PDSS_IdealGas::molarVolume_ref(), PDSS_Water::molarVolume_ref(), PDSS::operator=(), PDSS_HKFT::refPressure(), PDSS::refPressure(), PDSS::reportParams(), PDSS_ConstVol::setPressure(), PDSS_IdealGas::setPressure(), PDSS_SSVol::setPressure(), PDSS_ConstVol::setTemperature(), PDSS_IdealGas::setTemperature(), and PDSS_SSVol::setTemperature().

doublereal m_minTemp

protectedinherited

Minimum temperature.

Definition at line 673 of file PDSS.h.

Referenced by PDSS_HKFT::constructPDSSXML(), PDSS_IdealGas::initThermo(), PDSS_IonsFromNeutral::initThermo(), PDSS_ConstVol::initThermoXML(), PDSS_SSVol::initThermoXML(), PDSS::initThermoXML(), PDSS::minTemp(), PDSS::operator=(), PDSS_Water::PDSS_Water(), and PDSS::reportParams().

doublereal m_maxTemp

protectedinherited

Maximum temperature.

Definition at line 676 of file PDSS.h.

Referenced by PDSS_HKFT::constructPDSSXML(), PDSS_IdealGas::initThermo(), PDSS_IonsFromNeutral::initThermo(), PDSS_ConstVol::initThermoXML(), PDSS_SSVol::initThermoXML(), PDSS::initThermoXML(), PDSS::maxTemp(), PDSS::operator=(), PDSS_Water::PDSS_Water(), and PDSS::reportParams().

VPStandardStateTP* m_tp

protectedinherited

Thermophase which this species belongs to.

Note, in some applications (i.e., mostly testing applications, this may be a null value. Applications should test whether this is null before usage.

Definition at line 684 of file PDSS.h.

Referenced by PDSS_ConstVol::constructPDSSXML(), PDSS_HKFT::constructPDSSXML(), PDSS_SSVol::constructPDSSXML(), PDSS_HKFT::convertDGFormation(), PDSS_HKFT::initAllPtrs(), PDSS::initAllPtrs(), PDSS_ConstVol::initThermo(), PDSS_HKFT::initThermo(), PDSS_IdealGas::initThermo(), PDSS_IonsFromNeutral::initThermo(), PDSS_SSVol::initThermo(), PDSS::initThermo(), PDSS_ConstVol::initThermoXML(), PDSS_SSVol::initThermoXML(), PDSS::initThermoXML(), PDSS_HKFT::LookupGe(), and PDSS::operator=().

VPSSMgr* m_vpssmgr_ptr

protectedinherited

Pointer to the VPSS manager for this object.

Definition at line 687 of file PDSS.h.

Referenced by PDSS::initAllPtrs(), PDSS::initPtrs(), PDSS::initThermo(), PDSS::initThermoXML(), PDSS::operator=(), PDSS::PDSS(), PDSS_IdealGas::temperature(), and PDSS_IonsFromNeutral::temperature().

doublereal m_mw

protectedinherited

Molecular Weight of the species.

Definition at line 692 of file PDSS.h.

Referenced by PDSS_SSVol::calcMolarVolume(), PDSS_Water::constructSet(), PDSS_ConstVol::density(), PDSS_IdealGas::density(), PDSS_HKFT::density(), PDSS_IonsFromNeutral::density(), PDSS_SSVol::density(), PDSS::initThermo(), PDSS_ConstVol::initThermoXML(), PDSS_SSVol::initThermoXML(), PDSS::molecularWeight(), PDSS::operator=(), PDSS::setMolecularWeight(), PDSS_ConstVol::setState_TR(), PDSS_IdealGas::setState_TR(), and PDSS_SSVol::setState_TR().

size_t m_spindex

protectedinherited

Species index in the thermophase corresponding to this species.

Definition at line 697 of file PDSS.h.

Referenced by PDSS_SSVol::calcMolarVolume(), PDSS_ConstVol::constructPDSSXML(), PDSS_HKFT::constructPDSSXML(), PDSS_SSVol::constructPDSSXML(), PDSS_HKFT::convertDGFormation(), PDSS_ConstVol::cp_mole(), PDSS_HKFT::cp_mole(), PDSS_SSVol::cp_mole(), PDSS_ConstVol::cp_R(), PDSS_IdealGas::cp_R(), PDSS_SSVol::cp_R(), PDSS_ConstVol::cp_R_ref(), PDSS_SSVol::cp_R_ref(), PDSS_ConstVol::cv_mole(), PDSS_SSVol::cv_mole(), PDSS_ConstVol::density(), PDSS_SSVol::density(), PDSS_HKFT::enthalpy_mole(), PDSS_ConstVol::enthalpy_RT(), PDSS_IdealGas::enthalpy_RT(), PDSS_SSVol::enthalpy_RT(), PDSS_ConstVol::enthalpy_RT_ref(), PDSS_IdealGas::enthalpy_RT_ref(), PDSS_SSVol::enthalpy_RT_ref(), PDSS_ConstVol::entropy_R(), PDSS_IdealGas::entropy_R(), PDSS_SSVol::entropy_R(), PDSS_ConstVol::entropy_R_ref(), PDSS_IdealGas::entropy_R_ref(), PDSS_SSVol::entropy_R_ref(), PDSS_ConstVol::gibbs_RT(), PDSS_IdealGas::gibbs_RT(), PDSS_SSVol::gibbs_RT(), PDSS_ConstVol::gibbs_RT_ref(), PDSS_IdealGas::gibbs_RT_ref(), PDSS_SSVol::gibbs_RT_ref(), PDSS_ConstVol::initThermo(), PDSS_HKFT::initThermo(), PDSS_IdealGas::initThermo(), PDSS_IonsFromNeutral::initThermo(), PDSS_SSVol::initThermo(), PDSS::initThermo(), PDSS_ConstVol::initThermoXML(), PDSS_SSVol::initThermoXML(), PDSS::initThermoXML(), PDSS_ConstVol::intEnergy_mole(), PDSS_IdealGas::intEnergy_mole(), PDSS_IonsFromNeutral::intEnergy_mole(), PDSS_SSVol::intEnergy_mole(), PDSS_ConstVol::molarVolume(), PDSS_SSVol::molarVolume(), PDSS_ConstVol::molarVolume_ref(), PDSS_SSVol::molarVolume_ref(), PDSS::operator=(), PDSS::reportParams(), PDSS_ConstVol::setPressure(), PDSS_IdealGas::setPressure(), PDSS_SSVol::setPressure(), PDSS_ConstVol::setTemperature(), PDSS_IdealGas::setTemperature(), and PDSS_SSVol::setTemperature().

SpeciesThermo* m_spthermo

protectedinherited

Pointer to the species thermodynamic property manager.

This is a copy of the pointer in the ThermoPhase object. Note, this object doesn't own the pointer. If the SpeciesThermo ThermoPhase object doesn't know or doesn't control the calculation, this will be set to zero.

Definition at line 707 of file PDSS.h.

Referenced by PDSS::initAllPtrs(), PDSS_IdealGas::initThermo(), PDSS_IonsFromNeutral::initThermo(), PDSS_ConstVol::initThermoXML(), PDSS_SSVol::initThermoXML(), PDSS::operator=(), PDSS::PDSS(), PDSS_Water::PDSS_Water(), PDSS_ConstVol::setTemperature(), PDSS_IdealGas::setTemperature(), and PDSS_SSVol::setTemperature().