PDSS Class Reference
[Species Standard-State Thermodynamic Properties]

Virtual base class for a species with a pressure dependent standard state. More...

#include <PDSS.h>

Inheritance diagram for PDSS:

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Collaboration diagram for PDSS:

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List of all members.

Public Member Functions
Constructors

	PDSS ()
	Empty Constructor.
	PDSS (VPStandardStateTP *tp, int spindex)
	Constructor that initializes the object by examining the XML entries from the ThermoPhase object.
	PDSS (const PDSS &b)
	Copy Constructor.
PDSS &	operator= (const PDSS &b)
	Assignment operator.
virtual	~PDSS ()
	Destructor for the phase.
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	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.
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
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 doublereal	thermalExpansionCoeff () const
	Return the volumetric thermal expansion coefficient. Units: 1/K.
Partial Molar Properties of the Solution -----------------

virtual void	setTemperature (doublereal temp)
	Set the internal temperature.
doublereal	temperature () const
	Return the current storred 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
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.
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).
Utilities

PDSS_enumType	reportPDSSType () const
	Returns the type of the standard state parameterization.
void	err (std::string msg) const
	Set an error within this object for an unhandled capability.
Initialization of the Object

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.
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.
void	initPtrs ()
	Initialize all of the internal shallow pointers that can be initialized.

Detailed Description

Virtual base class for a species with a pressure dependent standard state.

Virtual base class for calculation of the pressure dependent standard state for a single species

Class PDSS is the base class for a family of classes that compute properties of a set of species in their standard states at a range of temperatures and pressures. The independent variables for this object are temperature and pressure. The class may mave a reference to a SpeciesThermo object which handles the calculation of the reference state temperature behavior of a subset of species.

This class is analagous to the SpeciesThermoInterpType class, except that the standard state inherently incorporates the pressure dependence.

The class operates on a setState temperature and pressure basis. It only recalculates the standard state when the setState functions for temperature and pressure are called.

Thread Safety

These classes are designed such that they are not thread safe when called by themselves. The reason for this is that they sometimes use shared SpeciesThermo resources where they set the states. This condition may be remedied in the future if we get serious about employing multithreaded capabilities by adding mutex locks to the SpeciesThermo resources.

However, in many other respects they can be thread safe. They use separate memory and hold intermediate data.

Definition at line 219 of file PDSS.h.

Constructor & Destructor Documentation

PDSS ( )

Empty Constructor.

Basic list of constructors and duplicators.

Definition at line 30 of file PDSS.cpp.

Referenced by PDSS::duplMyselfAsPDSS().

PDSS	(	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 55 of file PDSS.cpp.

References PDSS::m_spthermo, PDSS::m_vpssmgr_ptr, VPStandardStateTP::provideVPSSMgr(), and ThermoPhase::speciesThermo().

PDSS ( const PDSS & b )

Copy Constructor.

Parameters:

b

object to be copied

Definition at line 89 of file PDSS.cpp.

~PDSS ( ) [virtual]

Destructor for the phase.

Definition at line 172 of file PDSS.cpp.

Member Function Documentation

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 in PDSS_ConstVol, PDSS_HKFT, PDSS_IdealGas, PDSS_SSVol, and PDSS_Water.

Definition at line 302 of file PDSS.cpp.

References PDSS::err().

Referenced by PDSS::cp_R(), and PDSS::cpDelp_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 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 in PDSS_ConstVol, PDSS_HKFT, PDSS_IdealGas, PDSS_SSVol, and PDSS_Water.

Definition at line 348 of file PDSS.cpp.

References PDSS::err().

Referenced by VPSSMgr_General::_updateRefStateThermo(), and PDSS::cpDelp_mole().

doublereal cpDelp_mole ( ) const [virtual]

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 in PDSS_ConstVol, PDSS_HKFT, PDSS_IdealGas, PDSS_SSVol, and PDSS_Water.

Definition at line 439 of file PDSS.cpp.

References PDSS::err().

doublereal critPressure ( ) const [virtual]

critical pressure

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

Definition at line 433 of file PDSS.cpp.

References PDSS::err().

doublereal critTemperature ( ) const [virtual]

critical temperature

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

Definition at line 427 of file PDSS.cpp.

References PDSS::err().

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 in PDSS_ConstVol, PDSS_HKFT, PDSS_IdealGas, PDSS_SSVol, and PDSS_Water.

Definition at line 328 of file PDSS.cpp.

References PDSS::err().

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 in PDSS_ConstVol, PDSS_HKFT, PDSS_IdealGas, PDSS_SSVol, and PDSS_Water.

Definition at line 316 of file PDSS.cpp.

References PDSS::err().

Referenced by HMWSoln::initThermoXML().

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 in PDSS_ConstVol, PDSS_HKFT, PDSS_IdealGas, PDSS_SSVol, and PDSS_Water.

Definition at line 183 of file PDSS.cpp.

References PDSS::PDSS().

Referenced by VPStandardStateTP::operator=().

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 in PDSS_ConstVol, PDSS_HKFT, PDSS_IdealGas, PDSS_SSVol, and PDSS_Water.

Definition at line 240 of file PDSS.cpp.

References PDSS::err().

Referenced by PDSS::enthalpy_RT(), and PDSS::enthalpyDelp_mole().

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 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 in PDSS_ConstVol, PDSS_HKFT, PDSS_IdealGas, PDSS_SSVol, and PDSS_Water.

Definition at line 338 of file PDSS.cpp.

References PDSS::err().

Referenced by VPSSMgr_General::_updateRefStateThermo(), PDSS::enthalpyDelp_mole(), and VPSSMgr_General::getGibbs_ref().

doublereal enthalpyDelp_mole ( ) const [virtual]

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 in PDSS_ConstVol, PDSS_HKFT, PDSS_IdealGas, PDSS_SSVol, and PDSS_Water.

Definition at line 269 of file PDSS.cpp.

References PDSS::err().

Referenced by PDSS::entropy_R(), and PDSS::entropyDelp_mole().

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 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 in PDSS_ConstVol, PDSS_HKFT, PDSS_IdealGas, PDSS_SSVol, and PDSS_Water.

Definition at line 343 of file PDSS.cpp.

References PDSS::err().

Referenced by VPSSMgr_General::_updateRefStateThermo(), PDSS::entropyDelp_mole(), and VPSSMgr_General::getGibbs_ref().

doublereal entropyDelp_mole ( ) const [virtual]

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.

void err ( std::string msg ) const [private]

Set an error within this object for an unhandled capability.

Parameters:

msg

Message string for this error

Definition at line 485 of file PDSS.cpp.

Referenced by PDSS::cp_mole(), PDSS::cp_R_ref(), PDSS::critDensity(), PDSS::critPressure(), PDSS::critTemperature(), PDSS::cv_mole(), PDSS::density(), PDSS::enthalpy_mole(), PDSS::enthalpy_RT_ref(), PDSS::entropy_mole(), PDSS::entropy_R_ref(), PDSS::gibbs_mole(), PDSS::gibbs_RT_ref(), PDSS::intEnergy_mole(), PDSS::molarVolume(), PDSS::molarVolume_ref(), PDSS::satPressure(), PDSS::setState_TP(), and PDSS::setState_TR().

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 in PDSS_ConstVol, PDSS_HKFT, PDSS_IdealGas, PDSS_SSVol, and PDSS_Water.

Definition at line 285 of file PDSS.cpp.

References PDSS::err().

Referenced by PDSS::gibbs_RT(), and PDSS::gibbsDelp_mole().

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 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 in PDSS_ConstVol, PDSS_HKFT, PDSS_IdealGas, PDSS_SSVol, and PDSS_Water.

Definition at line 333 of file PDSS.cpp.

References PDSS::err().

Referenced by PDSS::gibbsDelp_mole().

doublereal gibbsDelp_mole ( ) const [virtual]

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]`

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 initPtrs ( ) [private]

Initialize all of the internal shallow pointers that can be initialized.

This routine isn't virtual. It's only applicable for the current class

Definition at line 218 of file PDSS.cpp.

References 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_s0_R_ptr, PDSS::m_sss_R_ptr, PDSS::m_V0_ptr, PDSS::m_vpssmgr_ptr, PDSS::m_Vss_ptr, VPSSMgr::mPDSS_cp0_R, VPSSMgr::mPDSS_cpss_R, VPSSMgr::mPDSS_g0_RT, VPSSMgr::mPDSS_gss_RT, VPSSMgr::mPDSS_h0_RT, VPSSMgr::mPDSS_hss_RT, VPSSMgr::mPDSS_s0_R, VPSSMgr::mPDSS_sss_R, VPSSMgr::mPDSS_V0, and VPSSMgr::mPDSS_Vss.

Referenced by PDSS::initAllPtrs(), and PDSS::initThermo().

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 in PDSS_ConstVol, PDSS_HKFT, PDSS_IdealGas, PDSS_SSVol, and PDSS_Water.

Definition at line 203 of file PDSS.cpp.

References AssertThrow, PDSS::initPtrs(), PDSS::m_mw, PDSS::m_spindex, PDSS::m_tp, PDSS::m_vpssmgr_ptr, Constituents::molecularWeight(), and VPStandardStateTP::provideVPSSMgr().

Referenced by VPStandardStateTP::initThermo().

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 in PDSS_ConstVol, PDSS_HKFT, PDSS_IdealGas, PDSS_SSVol, and PDSS_Water.

Definition at line 196 of file PDSS.cpp.

References AssertThrow, PDSS::m_maxTemp, PDSS::m_minTemp, PDSS::m_p0, PDSS::m_spindex, PDSS::m_tp, PDSS::m_vpssmgr_ptr, VPSSMgr::maxTemp(), VPSSMgr::minTemp(), and VPSSMgr::refPressure().

Referenced by VPStandardStateTP::initThermoXML().

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 in PDSS_ConstVol, PDSS_HKFT, PDSS_IdealGas, PDSS_SSVol, and PDSS_Water.

Definition at line 257 of file PDSS.cpp.

References PDSS::err().

doublereal maxTemp ( ) const [inline]

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]

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 in PDSS_ConstVol, PDSS_HKFT, PDSS_IdealGas, PDSS_SSVol, and PDSS_Water.

Definition at line 311 of file PDSS.cpp.

References PDSS::err().

Referenced by VPSSMgr_General::_updateStandardStateThermo().

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 in PDSS_ConstVol, PDSS_HKFT, PDSS_IdealGas, PDSS_SSVol, and PDSS_Water.

Definition at line 353 of file PDSS.cpp.

References PDSS::err().

Referenced by VPSSMgr_General::_updateRefStateThermo().

doublereal molecularWeight ( ) const

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 & operator= ( const PDSS & b )

Assignment operator.

Assignment operator ok -> we don't know what to do here, so we'll first implement a shallow copy.

Parameters:

b

Object to be copied

Definition at line 124 of file PDSS.cpp.

References 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_maxTemp, PDSS::m_minTemp, PDSS::m_mw, PDSS::m_p0, PDSS::m_pdssType, PDSS::m_pres, PDSS::m_s0_R_ptr, PDSS::m_spindex, PDSS::m_spthermo, PDSS::m_sss_R_ptr, PDSS::m_temp, PDSS::m_tp, PDSS::m_V0_ptr, PDSS::m_vpssmgr_ptr, and PDSS::m_Vss_ptr.

doublereal pressure ( ) const [virtual]

Returns the pressure (Pa).

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

Reimplemented in PDSS_HKFT, PDSS_IdealGas, and PDSS_Water.

Definition at line 410 of file PDSS.cpp.

References PDSS::m_pres.

doublereal refPressure ( ) const [inline]

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]`

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

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]

saturation pressure

Parameters:

T

Temperature (Kelvin)

Reimplemented in PDSS_ConstVol, PDSS_IdealGas, PDSS_SSVol, and PDSS_Water.

Definition at line 479 of file PDSS.cpp.

References PDSS::err().

Referenced by HMWSoln::satPressure().

void setMolecularWeight ( doublereal mw )

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]

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 in PDSS_ConstVol, PDSS_HKFT, PDSS_IdealGas, PDSS_SSVol, and PDSS_Water.

Definition at line 444 of file PDSS.cpp.

References PDSS::m_pres.

void setState_TP	(	doublereal	temp,
		doublereal	pres
	)			`[virtual]`

Set the internal temperature and pressure.

Parameters:

	temp	Temperature (Kelvin)
	pres	pressure (Pascals)

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

Definition at line 470 of file PDSS.cpp.

References PDSS::err().

Referenced by VPSSMgr_General::_updateRefStateThermo(), VPSSMgr_Water_ConstVol::_updateStandardStateThermo(), VPSSMgr_General::_updateStandardStateThermo(), VPSSMgr::_updateStandardStateThermo(), VPSSMgr_General::getGibbs_ref(), HMWSoln::initThermoXML(), and HMWSoln::satPressure().

void setState_TR	(	doublereal	temp,
		doublereal	rho
	)			`[virtual]`

Set the internal temperature and density.

Parameters:

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

Reimplemented in PDSS_ConstVol, PDSS_IdealGas, PDSS_SSVol, and PDSS_Water.

Definition at line 474 of file PDSS.cpp.

References PDSS::err().

void setTemperature ( doublereal temp ) [virtual]

Set the internal temperature.

Parameters:

temp

Temperature (Kelvin)

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

Definition at line 459 of file PDSS.cpp.

References PDSS::m_temp.

Referenced by VPSSMgr_Water_ConstVol::_updateRefStateThermo().

doublereal temperature ( ) const

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 in PDSS_Water.

Definition at line 421 of file PDSS.cpp.

Member Data Documentation

doublereal* m_cp0_R_ptr [protected]

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]

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_g0_RT_ptr [protected]

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]

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]

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]

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().

doublereal m_maxTemp [protected]

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]

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]

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]

PDSS_enumType m_pdssType [protected]

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]

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]

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]

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]

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().