Derived class for pressure dependent standard states of an ideal gas species. More...

#include <PDSS_IdealGas.h>

Inheritance diagram for PDSS_IdealGas:

Collaboration diagram for PDSS_IdealGas:

Public Member Functions
Constructors
	PDSS_IdealGas (VPStandardStateTP *tp, int spindex)
	Constructor.

	PDSS_IdealGas (const PDSS_IdealGas &b)
	Copy Constructur.

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

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

	PDSS_IdealGas (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.

virtual	~PDSS_IdealGas ()
	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 doublereal	pressure () const
	Returns the pressure (Pa)

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

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

doublereal	temperature () const
	Return the current stored 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
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 &phaseNode, std::string id)
	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.

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

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

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
doublereal	m_tmin
	Maximum temperature the standard states are good for.

doublereal	m_tmax
	Minimum temperature the standard states are good for.

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)

Detailed Description

Derived class for pressure dependent standard states of an ideal gas species.

This class is for a single Ideal Gas species.

Definition at line 30 of file PDSS_IdealGas.h.

Constructor & Destructor Documentation

PDSS_IdealGas	(	VPStandardStateTP *	tp,
		int	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_IdealGas.cpp.

References PDSS::m_pdssType.

Referenced by PDSS_IdealGas::duplMyselfAsPDSS().

PDSS_IdealGas ( const PDSS_IdealGas & b )

Copy Constructur.

Parameters

b	Object to be copied

Definition at line 60 of file PDSS_IdealGas.cpp.

PDSS_IdealGas	(	VPStandardStateTP *	tp,
		int	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_IdealGas.cpp.

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

PDSS_IdealGas	(	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 46 of file PDSS_IdealGas.cpp.

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

~PDSS_IdealGas ( )

virtual

Destructor.

Definition at line 86 of file PDSS_IdealGas.cpp.

Member Function Documentation

PDSS_IdealGas & operator= ( const PDSS_IdealGas & b )

Assignment operator.

Parameters

b	Object to be copeid

Definition at line 73 of file PDSS_IdealGas.cpp.

References PDSS_IdealGas::m_tmax, PDSS_IdealGas::m_tmin, and PDSS::operator=().

PDSS * duplMyselfAsPDSS ( ) const

virtual

Duplicator.

Reimplemented from PDSS.

Definition at line 91 of file PDSS_IdealGas.cpp.

References PDSS_IdealGas::PDSS_IdealGas().

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 172 of file PDSS_IdealGas.cpp.

References PDSS_IdealGas::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 180 of file PDSS_IdealGas.cpp.

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

Referenced by PDSS_IdealGas::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 192 of file PDSS_IdealGas.cpp.

References Cantera::GasConstant, PDSS::m_h0_RT_ptr, PDSS::m_spindex, 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 204 of file PDSS_IdealGas.cpp.

References PDSS_IdealGas::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 211 of file PDSS_IdealGas.cpp.

References PDSS::m_p0, PDSS::m_pres, PDSS::m_s0_R_ptr, and PDSS::m_spindex.

Referenced by PDSS_IdealGas::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 222 of file PDSS_IdealGas.cpp.

References Cantera::GasConstant, PDSS_IdealGas::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 230 of file PDSS_IdealGas.cpp.

References PDSS::m_g0_RT_ptr, PDSS::m_p0, PDSS::m_pres, and PDSS::m_spindex.

Referenced by PDSS_IdealGas::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 241 of file PDSS_IdealGas.cpp.

References PDSS_IdealGas::cp_R(), and Cantera::GasConstant.

Referenced by PDSS_IdealGas::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 248 of file PDSS_IdealGas.cpp.

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

Referenced by PDSS_IdealGas::cp_mole(), and PDSS_IdealGas::cp_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 272 of file PDSS_IdealGas.cpp.

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

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 255 of file PDSS_IdealGas.cpp.

References Cantera::GasConstant, PDSS::m_pres, and PDSS::m_temp.

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 262 of file PDSS_IdealGas.cpp.

References Cantera::GasConstant, PDSS::m_mw, PDSS::m_pres, and PDSS::m_temp.

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 279 of file PDSS_IdealGas.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 285 of file PDSS_IdealGas.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 291 of file PDSS_IdealGas.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 297 of file PDSS_IdealGas.cpp.

References PDSS_IdealGas::cp_R().

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 302 of file PDSS_IdealGas.cpp.

References Cantera::GasConstant, PDSS::m_p0, and PDSS::m_temp.

doublereal pressure ( ) const

virtual

Returns the pressure (Pa)

Reimplemented from PDSS.

Definition at line 312 of file PDSS_IdealGas.cpp.

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 318 of file PDSS_IdealGas.cpp.

References Cantera::GasConstant, PDSS::m_gss_RT_ptr, PDSS::m_hss_RT_ptr, PDSS::m_p0, PDSS::m_pres, PDSS::m_s0_R_ptr, PDSS::m_spindex, PDSS::m_sss_R_ptr, PDSS::m_temp, and PDSS::m_Vss_ptr.

void setTemperature ( doublereal temp )

virtual

Set the internal temperature.

Parameters

temp	Temperature (Kelvin)

Reimplemented from PDSS.

Definition at line 360 of file PDSS_IdealGas.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_V0_ptr, PDSS::m_Vss_ptr, and SpeciesThermo::update_one().

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

doublereal temperature ( ) const

Return the current stored temperature.

Definition at line 354 of file PDSS_IdealGas.cpp.

References PDSS::m_temp, PDSS::m_vpssmgr_ptr, and VPSSMgr::temperature().

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 376 of file PDSS_IdealGas.cpp.

References PDSS::m_pres, and PDSS_IdealGas::setTemperature().

void setState_TR	(	doublereal	temp,
		doublereal	rho
	)

virtual

Set the internal temperature and density.

Parameters

temp	Temperature (Kelvin)
rho	Density (Pascals)

Reimplemented from PDSS.

Definition at line 382 of file PDSS_IdealGas.cpp.

References Cantera::GasConstant, PDSS::m_mw, PDSS::m_pres, and PDSS_IdealGas::setTemperature().

doublereal critTemperature ( ) const

virtual

critical temperature

Reimplemented from PDSS.

Definition at line 327 of file PDSS_IdealGas.cpp.

doublereal critPressure ( ) const

virtual

critical pressure

Reimplemented from PDSS.

Definition at line 334 of file PDSS_IdealGas.cpp.

doublereal critDensity ( ) const

virtual

critical density

Reimplemented from PDSS.

Definition at line 341 of file PDSS_IdealGas.cpp.

doublereal satPressure ( doublereal t )

virtual

saturation pressure

Parameters

t	Temperature (Kelvin)

Reimplemented from PDSS.

Definition at line 389 of file PDSS_IdealGas.cpp.

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 123 of file PDSS_IdealGas.cpp.

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

Referenced by PDSS_IdealGas::PDSS_IdealGas().

void constructPDSSXML	(	VPStandardStateTP *	vptp_ptr,
		size_t	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 115 of file PDSS_IdealGas.cpp.

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

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 154 of file PDSS_IdealGas.cpp.

References PDSS::initThermoXML().

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 159 of file PDSS_IdealGas.cpp.

References PDSS::initThermo(), PDSS::m_maxTemp, PDSS::m_minTemp, PDSS::m_p0, PDSS::m_spindex, PDSS::m_spthermo, PDSS::m_tp, SpeciesThermo::maxTemp(), SpeciesThermo::minTemp(), SpeciesThermo::refPressure(), and ThermoPhase::speciesThermo().

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 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 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_tmin

protected

Maximum temperature the standard states are good for.

Definition at line 428 of file PDSS_IdealGas.h.

Referenced by PDSS_IdealGas::operator=().

doublereal m_tmax

protected

Minimum temperature the standard states are good for.

Definition at line 431 of file PDSS_IdealGas.h.

Referenced by PDSS_IdealGas::operator=().

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().