#include <PDSS_ConstVol.h>

Inheritance diagram for PDSS_ConstVol:

Collaboration diagram for PDSS_ConstVol:

Public Member Functions
Constructors
	PDSS_ConstVol (VPStandardStateTP *tp, size_t spindex)
	Constructor.

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

	PDSS_ConstVol (VPStandardStateTP *vptp_ptr, size_t spindex, const XML_Node &speciesNode, const XML_Node &phaseRef, bool spInstalled)
	Constructor that initializes the object by examining the input file of the ThermoPhase object.

	PDSS_ConstVol (const PDSS_ConstVol &b)
	Copy Constructur.

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

virtual	~PDSS_ConstVol ()
	Destructor.

virtual PDSS *	duplMyselfAsPDSS () const
	Duplicator.

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	enthalpy_RT () const
	Return the standard state molar enthalpy divided by RT.

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

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

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

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

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

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
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 void	setPressure (doublereal pres)
	Sets the pressure in the object.

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

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

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

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)
	saturation pressure

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

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

void	constructPDSSXML (VPStandardStateTP *vptp_ptr, size_t spindex, const XML_Node &speciesNode, const XML_Node &phaseNode, bool spInstalled)
	Initialization of a PDSS object using an xml tree.

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	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

Mechanical Equation of State Properties
virtual doublereal	pressure () const
	Returns the pressure (Pa)

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

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.

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
doublereal	m_constMolarVolume
	Value of the constant molar volume for the species.

Detailed Description

Class for pressure dependent standard states that use a constant volume model.

Definition at line 29 of file PDSS_ConstVol.h.

Constructor & Destructor Documentation

PDSS_ConstVol	(	VPStandardStateTP *	tp,
		size_t	spindex
	)

Constructor.

Basic list of constructors and duplicators.

Parameters

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

Definition at line 29 of file PDSS_ConstVol.cpp.

References PDSS::m_pdssType.

Referenced by PDSS_ConstVol::duplMyselfAsPDSS().

PDSS_ConstVol	(	VPStandardStateTP *	tp,
		size_t	spindex,
		std::string	inputFile,
		std::string	id = `""`
	)

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

This function calls the constructPDSSFile member function.

Parameters

tp	Pointer to the 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 36 of file PDSS_ConstVol.cpp.

References PDSS_ConstVol::constructPDSSFile(), and PDSS::m_pdssType.

PDSS_ConstVol	(	VPStandardStateTP *	vptp_ptr,
		size_t	spindex,
		const XML_Node &	speciesNode,
		const XML_Node &	phaseRef,
		bool	spInstalled
	)

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

This function calls the constructPDSSXML member function.

Parameters

vptp_ptr	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	Boolean indicating whether the species is installed yet or not.

Definition at line 43 of file PDSS_ConstVol.cpp.

References PDSS_ConstVol::constructPDSSXML(), and PDSS::m_pdssType.

PDSS_ConstVol ( const PDSS_ConstVol & b )

Copy Constructur.

Parameters

b	Object to be copied

Definition at line 54 of file PDSS_ConstVol.cpp.

~PDSS_ConstVol ( )

virtual

Destructor.

Definition at line 77 of file PDSS_ConstVol.cpp.

Member Function Documentation

PDSS_ConstVol & operator= ( const PDSS_ConstVol & b )

Assignment operator.

Parameters

b	Object to be copeid

Definition at line 67 of file PDSS_ConstVol.cpp.

References PDSS_ConstVol::m_constMolarVolume, and PDSS::operator=().

PDSS * duplMyselfAsPDSS ( ) const

virtual

Duplicator.

Reimplemented from PDSS.

Definition at line 82 of file PDSS_ConstVol.cpp.

References PDSS_ConstVol::PDSS_ConstVol().

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 207 of file PDSS_ConstVol.cpp.

References PDSS_ConstVol::enthalpy_RT(), Cantera::GasConstant, and PDSS::m_temp.

doublereal enthalpy_RT ( ) const

virtual

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 from PDSS.

Definition at line 215 of file PDSS_ConstVol.cpp.

References PDSS::m_hss_RT_ptr, and PDSS::m_spindex.

Referenced by PDSS_ConstVol::enthalpy_mole().

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 223 of file PDSS_ConstVol.cpp.

References Cantera::GasConstant, PDSS::m_h0_RT_ptr, PDSS::m_pres, PDSS::m_spindex, PDSS::m_temp, and PDSS::m_Vss_ptr.

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 233 of file PDSS_ConstVol.cpp.

References PDSS_ConstVol::entropy_R(), and Cantera::GasConstant.

doublereal entropy_R ( ) const

virtual

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 from PDSS.

Definition at line 240 of file PDSS_ConstVol.cpp.

References PDSS::m_spindex, and PDSS::m_sss_R_ptr.

Referenced by PDSS_ConstVol::entropy_mole().

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 251 of file PDSS_ConstVol.cpp.

References Cantera::GasConstant, PDSS_ConstVol::gibbs_RT(), and PDSS::m_temp.

doublereal gibbs_RT ( ) const

virtual

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 from PDSS.

Definition at line 259 of file PDSS_ConstVol.cpp.

References PDSS::m_gss_RT_ptr, and PDSS::m_spindex.

Referenced by PDSS_ConstVol::gibbs_mole().

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 266 of file PDSS_ConstVol.cpp.

References Cantera::GasConstant, PDSS::m_cpss_R_ptr, and PDSS::m_spindex.

Referenced by PDSS_ConstVol::cv_mole().

doublereal cp_R ( ) const

virtual

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 from PDSS.

Definition at line 273 of file PDSS_ConstVol.cpp.

References PDSS::m_cpss_R_ptr, and PDSS::m_spindex.

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 280 of file PDSS_ConstVol.cpp.

References PDSS_ConstVol::cp_mole(), PDSS::m_spindex, and PDSS::m_V0_ptr.

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 287 of file PDSS_ConstVol.cpp.

References PDSS::m_spindex, and PDSS::m_Vss_ptr.

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 294 of file PDSS_ConstVol.cpp.

References PDSS::m_mw, PDSS::m_spindex, and PDSS::m_Vss_ptr.

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 301 of file PDSS_ConstVol.cpp.

References PDSS::m_g0_RT_ptr, and PDSS::m_spindex.

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 307 of file PDSS_ConstVol.cpp.

References PDSS::m_h0_RT_ptr, and PDSS::m_spindex.

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 313 of file PDSS_ConstVol.cpp.

References PDSS::m_s0_R_ptr, and PDSS::m_spindex.

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 319 of file PDSS_ConstVol.cpp.

References PDSS::m_cp0_R_ptr, and PDSS::m_spindex.

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 325 of file PDSS_ConstVol.cpp.

References PDSS::m_spindex, and PDSS::m_V0_ptr.

void setPressure ( doublereal pres )

virtual

Sets the pressure in the object.

Currently, this sets the pressure in the PDSS object. It is indeterminant what happens to the owning VPStandardStateTP object and to the VPSSMgr object.

Parameters

pres	Pressure to be set (Pascal)

Reimplemented from PDSS.

Definition at line 354 of file PDSS_ConstVol.cpp.

References Cantera::GasConstant, PDSS::m_gss_RT_ptr, PDSS::m_h0_RT_ptr, PDSS::m_hss_RT_ptr, PDSS::m_p0, PDSS::m_pres, PDSS::m_spindex, PDSS::m_sss_R_ptr, PDSS::m_temp, and PDSS::m_Vss_ptr.

Referenced by PDSS_ConstVol::setState_TP().

void setTemperature ( doublereal temp )

virtual

Set the internal temperature.

Parameters

temp	Temperature (Kelvin)

Reimplemented from PDSS.

Definition at line 362 of file PDSS_ConstVol.cpp.

References Cantera::GasConstant, PDSS::m_cp0_R_ptr, PDSS::m_cpss_R_ptr, PDSS::m_g0_RT_ptr, PDSS::m_gss_RT_ptr, PDSS::m_h0_RT_ptr, PDSS::m_hss_RT_ptr, PDSS::m_p0, PDSS::m_pres, PDSS::m_s0_R_ptr, PDSS::m_spindex, PDSS::m_spthermo, PDSS::m_sss_R_ptr, PDSS::m_temp, PDSS::m_Vss_ptr, and SpeciesThermo::update_one().

Referenced by PDSS_ConstVol::setState_TP(), and PDSS_ConstVol::setState_TR().

void setState_TP	(	doublereal	temp,
		doublereal	pres
	)

virtual

Set the internal temperature and pressure.

Parameters

temp	Temperature (Kelvin)
pres	pressure (Pascals)

Reimplemented from PDSS.

Definition at line 379 of file PDSS_ConstVol.cpp.

References PDSS_ConstVol::setPressure(), and PDSS_ConstVol::setTemperature().

void setState_TR	(	doublereal	temp,
		doublereal	rho
	)

virtual

Set the internal temperature and density.

Parameters

temp	Temperature (Kelvin)
rho	Density (kg m-3)

Reimplemented from PDSS.

Definition at line 386 of file PDSS_ConstVol.cpp.

References PDSS_ConstVol::m_constMolarVolume, PDSS::m_mw, and PDSS_ConstVol::setTemperature().

doublereal critTemperature ( ) const

virtual

critical temperature

Reimplemented from PDSS.

Definition at line 334 of file PDSS_ConstVol.cpp.

doublereal critPressure ( ) const

virtual

critical pressure

Reimplemented from PDSS.

Definition at line 341 of file PDSS_ConstVol.cpp.

doublereal critDensity ( ) const

virtual

critical density

Reimplemented from PDSS.

Definition at line 348 of file PDSS_ConstVol.cpp.

doublereal satPressure ( doublereal t )

virtual

saturation pressure

Parameters

t	Temperature (kelvin)

Reimplemented from PDSS.

Definition at line 397 of file PDSS_ConstVol.cpp.

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 197 of file PDSS_ConstVol.cpp.

References PDSS::initThermo(), PDSS_ConstVol::m_constMolarVolume, PDSS::m_p0, PDSS::m_spindex, PDSS::m_tp, PDSS::m_V0_ptr, PDSS::m_Vss_ptr, SpeciesThermo::refPressure(), and ThermoPhase::speciesThermo().

void constructPDSSFile	(	VPStandardStateTP *	vptp_ptr,
		size_t	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 150 of file PDSS_ConstVol.cpp.

References XML_Node::build(), XML_Node::child(), PDSS_ConstVol::constructPDSSXML(), XML_Node::findByAttr(), Cantera::findInputFile(), Cantera::findXMLPhase(), Cantera::get_XML_NameID(), XML_Node::root(), and Phase::speciesNames().

Referenced by PDSS_ConstVol::PDSS_ConstVol().

void constructPDSSXML	(	VPStandardStateTP *	vptp_ptr,
		size_t	spindex,
		const XML_Node &	speciesNode,
		const XML_Node &	phaseNode,
		bool	spInstalled
	)

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
speciesNode	XML Node containing the species information
phaseNode	Reference to the phase Information for the phase that owns this species.
spInstalled	Boolean indicating whether the species is already installed.

Definition at line 104 of file PDSS_ConstVol.cpp.

References XML_Node::findByName(), ctml::getFloat(), PDSS::initThermo(), PDSS_ConstVol::m_constMolarVolume, PDSS::m_p0, PDSS::m_spindex, PDSS::m_tp, XML_Node::name(), SpeciesThermo::refPressure(), and ThermoPhase::speciesThermo().

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

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 188 of file PDSS_ConstVol.cpp.

References PDSS::initThermoXML(), PDSS::m_maxTemp, PDSS::m_minTemp, PDSS::m_mw, PDSS::m_p0, PDSS::m_spindex, PDSS::m_spthermo, PDSS::m_tp, SpeciesThermo::maxTemp(), SpeciesThermo::minTemp(), Phase::molecularWeight(), and SpeciesThermo::refPressure().

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 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 pressure ( ) const

virtualinherited

Returns the pressure (Pa)

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

Reimplemented in PDSS_IonsFromNeutral, PDSS_HKFT, PDSS_Water, and PDSS_IdealGas.

Definition at line 440 of file PDSS.cpp.

References PDSS::m_pres.

doublereal thermalExpansionCoeff ( ) const

virtualinherited

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 in PDSS_Water.

Definition at line 452 of file PDSS.cpp.

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

doublereal m_constMolarVolume

private

Value of the constant molar volume for the species.

m3 / kmol

Definition at line 419 of file PDSS_ConstVol.h.

Referenced by PDSS_ConstVol::constructPDSSXML(), PDSS_ConstVol::initThermo(), PDSS_ConstVol::operator=(), and PDSS_ConstVol::setState_TR().

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().