PDSS_Water Class Reference
[Species Standard-State Thermodynamic Properties]

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

#include <PDSS_Water.h>

Inheritance diagram for PDSS_Water:

[legend]

Collaboration diagram for PDSS_Water:

[legend]

List of all members.

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 storred 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 (int &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.
int	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 62 of file PDSS_Water.h.

Constructor & Destructor Documentation

PDSS_Water ( )

Bare constructor.

Basic list of constructors and duplicators.

eliminate?

Definition at line 24 of file PDSS_Water.cpp.

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 44 of file PDSS_Water.cpp.

PDSS_Water ( const PDSS_Water & b )

Copy Constructor.

Parameters:

b

object to be copied

Definition at line 112 of file PDSS_Water.cpp.

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 65 of file PDSS_Water.cpp.

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 86 of file PDSS_Water.cpp.

~PDSS_Water ( ) [virtual]

Destructor.

Definition at line 161 of file PDSS_Water.cpp.

Member Function Documentation

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 208 of file PDSS_Water.cpp.

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

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 187 of file PDSS_Water.cpp.

References PDSS_Water::constructSet().

void constructSet ( )

Internal routine that initializes the underlying water model.

This routine is not virtual

Definition at line 240 of file PDSS_Water.cpp.

Referenced by PDSS_Water::constructPDSSXML().

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 319 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_HKFT::_updateRefStateThermo(), VPSSMgr_Water_ConstVol::_updateRefStateThermo(), VPSSMgr_Water_HKFT::_updateStandardStateThermo(), VPSSMgr_Water_ConstVol::_updateStandardStateThermo(), and VPSSMgr_Water_ConstVol::getCp_R_ref().

doublereal cp_R ( ) const [virtual, inherited]

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_ConstVol, PDSS_IdealGas, and PDSS_SSVol.

Definition at line 307 of file PDSS.cpp.

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

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

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 358 of file PDSS_Water.cpp.

doublereal cpDelp_mole ( ) const [virtual, inherited]

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

Definition at line 400 of file PDSS.cpp.

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

doublereal critDensity ( ) const [virtual]

critical density

Reimplemented from PDSS.

Definition at line 462 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 459 of file PDSS_Water.cpp.

doublereal critTemperature ( ) const [virtual]

critical temperature

Reimplemented from PDSS.

Definition at line 456 of file PDSS_Water.cpp.

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

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 324 of file PDSS_Water.cpp.

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

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 469 of file PDSS_Water.cpp.

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

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

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 434 of file PDSS_Water.cpp.

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

Referenced by PDSS_HKFT::g().

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 166 of file PDSS_Water.cpp.

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

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 299 of file PDSS_Water.cpp.

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

doublereal enthalpy_RT ( ) const [virtual, inherited]

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_ConstVol, PDSS_HKFT, PDSS_IdealGas, and PDSS_SSVol.

Definition at line 245 of file PDSS.cpp.

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

Referenced by VPSSMgr_General::_updateStandardStateThermo().

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 342 of file PDSS_Water.cpp.

doublereal enthalpyDelp_mole ( ) const [virtual, inherited]

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 364 of file PDSS.cpp.

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

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 309 of file PDSS_Water.cpp.

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

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

doublereal entropy_R ( ) const [virtual, inherited]

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_ConstVol, PDSS_IdealGas, and PDSS_SSVol.

Definition at line 274 of file PDSS.cpp.

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

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

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 350 of file PDSS_Water.cpp.

doublereal entropyDelp_mole ( ) const [virtual, inherited]

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 376 of file PDSS.cpp.

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

WaterPropsIAPWS* getWater ( ) [inline]

Get a pointer to a changeable WaterPropsIAPWS object.

Definition at line 395 of file PDSS_Water.h.

References PDSS_Water::m_sub.

Referenced by WaterProps::WaterProps().

WaterProps* getWaterProps ( ) [inline]

Get a pointer to a changeable WaterPropsIAPWS object.

Definition at line 400 of file PDSS_Water.h.

References PDSS_Water::m_waterProps.

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 314 of file PDSS_Water.cpp.

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

Referenced by VPSSMgr_Water_ConstVol::getGibbs_RT_ref().

doublereal gibbs_RT ( ) const [virtual, inherited]

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_ConstVol, PDSS_IdealGas, and PDSS_SSVol.

Definition at line 290 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 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 334 of file PDSS_Water.cpp.

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

doublereal gibbsDelp_mole ( ) const [virtual, inherited]

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 387 of file PDSS.cpp.

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

void initAllPtrs	(	VPStandardStateTP *	vptp_ptr,
		VPSSMgr *	vpssmgr_ptr,
		SpeciesThermo *	spthermo_ptr
	)			`[virtual, inherited]`

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.

Definition at line 210 of file PDSS.cpp.

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

Referenced by VPStandardStateTP::operator=().

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 291 of file PDSS_Water.cpp.

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 295 of file PDSS_Water.cpp.

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 304 of file PDSS_Water.cpp.

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

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 450 of file PDSS_Water.cpp.

Referenced by PDSS_HKFT::g().

doublereal maxTemp ( ) const [inline, inherited]

return the minimum temperature

Definition at line 442 of file PDSS.h.

References PDSS::m_maxTemp.

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

doublereal minTemp ( ) const [inline, inherited]

return the minimum temperature

Definition at line 436 of file PDSS.h.

References PDSS::m_minTemp.

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

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 329 of file PDSS_Water.cpp.

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

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 366 of file PDSS_Water.cpp.

doublereal molecularWeight ( ) const [inherited]

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

Definition at line 463 of file PDSS.cpp.

References PDSS::m_mw.

Referenced by HMWSoln::initThermoXML(), and DebyeHuckel::initThermoXML().

PDSS_Water & operator= ( const PDSS_Water & b )

Assignment operator.

Parameters:

b

Object to be copied

Definition at line 134 of file PDSS_Water.cpp.

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 490 of file PDSS_Water.cpp.

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

Referenced by VPSSMgr_Water_HKFT::_updateRefStateThermo(), VPSSMgr_Water_ConstVol::_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 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 380 of file PDSS_Water.cpp.

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

doublereal refPressure ( ) const [inline, inherited]

Return the reference pressure for this phase.

Reimplemented in PDSS_HKFT.

Definition at line 431 of file PDSS.h.

References PDSS::m_p0.

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

void reportParams	(	int &	kindex,
		int &	type,
		doublereal *const	c,
		doublereal &	minTemp,
		doublereal &	maxTemp,
		doublereal &	refPressure
	)			const `[virtual, inherited]`

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 490 of file PDSS.cpp.

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

PDSS_enumType reportPDSSType ( ) const [inherited]

Returns the type of the standard state parameterization.

Returns:: Returns the integer # of the parameterization

Definition at line 192 of file PDSS.cpp.

References PDSS::m_pdssType.

Referenced by VPSSMgr_General::reportPDSSType().

doublereal satPressure ( doublereal t ) [virtual]

Return the saturation pressure at a given temperature.

Parameters:

t

Temperature (Kelvin)

Reimplemented from PDSS.

Definition at line 503 of file PDSS_Water.cpp.

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 464 of file PDSS_Water.cpp.

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

void setMolecularWeight ( doublereal mw ) [inherited]

Set the molecular weight of the species.

Parameters:

mw

Molecular Weight in kg kmol-1

Definition at line 466 of file PDSS.cpp.

References PDSS::m_mw.

void setPressure ( doublereal pres ) [virtual]

Set the pressure internally.

Parameters:

pres

Value of the pressure (Pascals)

Reimplemented from PDSS.

Definition at line 389 of file PDSS_Water.cpp.

Referenced by PDSS_Water::setState_TR().

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 479 of file PDSS_Water.cpp.

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

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 484 of file PDSS_Water.cpp.

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

void setTemperature ( doublereal temp ) [virtual]

Set the internal temperature.

Parameters:

temp

Temperature (Kelvin)

Reimplemented from PDSS.

Definition at line 473 of file PDSS_Water.cpp.

doublereal temperature ( ) const [inherited]

Return the current storred temperature.

Return the temperature.

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

Reimplemented in PDSS_HKFT, and PDSS_IdealGas.

Definition at line 455 of file PDSS.cpp.

References PDSS::m_temp.

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 429 of file PDSS_Water.cpp.

Referenced by PDSS_HKFT::g().

Member Data Documentation

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 535 of file PDSS_Water.h.

Referenced by PDSS_Water::cp_mole(), PDSS_Water::entropy_mole(), and PDSS_Water::intEnergy_mole().

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 554 of file PDSS_Water.h.

doublereal* m_cp0_R_ptr [protected, inherited]

Reference state heat capacity divided by R.

Storage for the thermo properties is provided by VPSSMgr. Calculated at the current value of T and m_p0

Definition at line 725 of file PDSS.h.

Referenced by PDSS_IdealGas::cp_R(), PDSS_SSVol::cp_R_ref(), PDSS_ConstVol::cp_R_ref(), PDSS::initPtrs(), PDSS::operator=(), PDSS_SSVol::setPressure(), PDSS_SSVol::setTemperature(), PDSS_IdealGas::setTemperature(), and PDSS_ConstVol::setTemperature().

doublereal* m_cpss_R_ptr [protected, inherited]

Standard state heat capacity divided by R.

Storage for the thermo properties is provided by VPSSMgr. Calculated at the current value of T and P

Definition at line 763 of file PDSS.h.

Referenced by PDSS_SSVol::cp_mole(), PDSS_ConstVol::cp_mole(), PDSS_SSVol::cp_R(), PDSS_ConstVol::cp_R(), PDSS::initPtrs(), PDSS::operator=(), PDSS_SSVol::setPressure(), PDSS_SSVol::setTemperature(), PDSS_IdealGas::setTemperature(), and PDSS_ConstVol::setTemperature().

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 518 of file PDSS_Water.h.

Referenced by PDSS_Water::density(), PDSS_Water::pref_safe(), and PDSS_Water::setState_TP().

doublereal* m_g0_RT_ptr [protected, inherited]

Reference state gibbs free energy divided by RT.

Calculated at the current value of T and m_p0

Definition at line 739 of file PDSS.h.

Referenced by PDSS_IdealGas::gibbs_RT(), PDSS_SSVol::gibbs_RT_ref(), PDSS_IdealGas::gibbs_RT_ref(), PDSS_ConstVol::gibbs_RT_ref(), PDSS::initPtrs(), PDSS::operator=(), PDSS_SSVol::setTemperature(), PDSS_IdealGas::setTemperature(), and PDSS_ConstVol::setTemperature().

doublereal* m_gss_RT_ptr [protected, inherited]

Standard state gibbs free energy divided by RT.

Storage for the thermo properties is provided by VPSSMgr. Calculated at the current value of T and P

Definition at line 779 of file PDSS.h.

Referenced by PDSS_SSVol::gibbs_RT(), PDSS_ConstVol::gibbs_RT(), PDSS::initPtrs(), PDSS::operator=(), PDSS_SSVol::setPressure(), PDSS_IdealGas::setPressure(), PDSS_ConstVol::setPressure(), PDSS_SSVol::setTemperature(), PDSS_IdealGas::setTemperature(), and PDSS_ConstVol::setTemperature().

doublereal* m_h0_RT_ptr [protected, inherited]

Reference state enthalpy divided by RT.

Storage for the thermo properties is provided by VPSSMgr. This object owns a shallow pointer. Calculated at the current value of T and m_p0

Definition at line 717 of file PDSS.h.

Referenced by PDSS_IdealGas::enthalpy_RT(), PDSS_SSVol::enthalpy_RT_ref(), PDSS_IdealGas::enthalpy_RT_ref(), PDSS_ConstVol::enthalpy_RT_ref(), PDSS::initPtrs(), PDSS_SSVol::intEnergy_mole(), PDSS_IdealGas::intEnergy_mole(), PDSS_ConstVol::intEnergy_mole(), PDSS::operator=(), PDSS_SSVol::setPressure(), PDSS_ConstVol::setPressure(), PDSS_SSVol::setTemperature(), PDSS_IdealGas::setTemperature(), and PDSS_ConstVol::setTemperature().

doublereal* m_hss_RT_ptr [protected, inherited]

Standard state enthalpy divided by RT.

Storage for the thermo properties is provided by VPSSMgr. Calculated at the current value of T and P

Definition at line 755 of file PDSS.h.

Referenced by PDSS_SSVol::enthalpy_RT(), PDSS_ConstVol::enthalpy_RT(), PDSS::initPtrs(), PDSS::operator=(), PDSS_SSVol::setPressure(), PDSS_IdealGas::setPressure(), PDSS_ConstVol::setPressure(), PDSS_SSVol::setTemperature(), PDSS_IdealGas::setTemperature(), and PDSS_ConstVol::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 528 of file PDSS_Water.h.

doublereal m_maxTemp [protected, inherited]

Maximum temperature.

Definition at line 678 of file PDSS.h.

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

doublereal m_minTemp [protected, inherited]

Minimum temperature.

Definition at line 675 of file PDSS.h.

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

doublereal m_mw [protected, inherited]

Molecular Weight of the species.

Definition at line 694 of file PDSS.h.

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

doublereal m_p0 [protected, inherited]

PDSS_enumType m_pdssType [protected, inherited]

Enumerated type describing the type of the PDSS object.

Definition at line 663 of file PDSS.h.

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

doublereal m_pres [mutable, protected, inherited]

State of the system - pressure.

Definition at line 669 of file PDSS.h.

Referenced by PDSS_HKFT::cp_mole(), PDSS_HKFT::cp_R_ref(), PDSS_HKFT::deltaG(), PDSS_HKFT::deltaS(), PDSS_IdealGas::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_SSVol::intEnergy_mole(), PDSS_HKFT::intEnergy_mole(), PDSS_ConstVol::intEnergy_mole(), PDSS_IdealGas::molarVolume(), PDSS_HKFT::molarVolume(), PDSS_HKFT::molarVolume_ref(), PDSS::operator=(), PDSS_HKFT::PDSS_HKFT(), PDSS_Water::pressure(), PDSS_HKFT::pressure(), PDSS::pressure(), PDSS_SSVol::setPressure(), PDSS_IdealGas::setPressure(), PDSS_HKFT::setPressure(), PDSS_ConstVol::setPressure(), PDSS::setPressure(), PDSS_SSVol::setState_TP(), PDSS_IdealGas::setState_TP(), PDSS_IdealGas::setState_TR(), PDSS_SSVol::setTemperature(), PDSS_IdealGas::setTemperature(), and PDSS_ConstVol::setTemperature().

doublereal* m_s0_R_ptr [protected, inherited]

Reference state entropy divided by R.

Storage for the thermo properties is provided by VPSSMgr. Calculated at the current value of T and m_p0

Definition at line 733 of file PDSS.h.

Referenced by PDSS_IdealGas::entropy_R(), PDSS_SSVol::entropy_R_ref(), PDSS_IdealGas::entropy_R_ref(), PDSS_ConstVol::entropy_R_ref(), PDSS::initPtrs(), PDSS::operator=(), PDSS_SSVol::setPressure(), PDSS_IdealGas::setPressure(), PDSS_SSVol::setTemperature(), PDSS_IdealGas::setTemperature(), and PDSS_ConstVol::setTemperature().

int m_spindex [protected, inherited]

Species index in the thermophase corresponding to this species.

Definition at line 699 of file PDSS.h.

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

SpeciesThermo* m_spthermo [protected, inherited]

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 709 of file PDSS.h.

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