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

#include <PDSS.h>

Inheritance diagram for PDSS:

Collaboration diagram for PDSS:

Public Member Functions
Constructors
	PDSS ()
	Empty Constructor.

	PDSS (VPStandardStateTP *tp, size_t 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 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

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.

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)

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 (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.

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 have a reference to a SpeciesThermo object which handles the calculation of the reference state temperature behavior of a subset of species.

This class is analogous 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 216 of file PDSS.h.

Constructor & Destructor Documentation

PDSS ( )

Empty Constructor.

Basic list of constructors and duplicators.

Definition at line 27 of file PDSS.cpp.

Referenced by PDSS::duplMyselfAsPDSS().

PDSS	(	VPStandardStateTP *	tp,
		size_t	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 52 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 86 of file PDSS.cpp.

~PDSS ( )

virtual

Destructor for the phase.

Definition at line 172 of file PDSS.cpp.

Member Function Documentation

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 121 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.

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

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_SSVol, PDSS_Water, PDSS_HKFT, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 184 of file PDSS.cpp.

References PDSS::PDSS().

Referenced by VPStandardStateTP::operator=().

PDSS_enumType reportPDSSType ( ) const

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().

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 528 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 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_SSVol, PDSS_Water, PDSS_HKFT, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 249 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_SSVol, PDSS_HKFT, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 255 of file PDSS.cpp.

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

Referenced by VPSSMgr_General::_updateStandardStateThermo().

doublereal 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_SSVol, PDSS_HKFT, PDSS_Water, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 268 of file PDSS.cpp.

References PDSS::err().

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_SSVol, PDSS_HKFT, PDSS_Water, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 281 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_SSVol, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 287 of file PDSS.cpp.

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

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

doublereal gibbs_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_SSVol, PDSS_HKFT, PDSS_Water, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 299 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_SSVol, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 305 of file PDSS.cpp.

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

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

doublereal cp_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_SSVol, PDSS_IonsFromNeutral, PDSS_HKFT, PDSS_Water, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 318 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_SSVol, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 324 of file PDSS.cpp.

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

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

doublereal 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_SSVol, PDSS_IonsFromNeutral, PDSS_HKFT, PDSS_Water, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 348 of file PDSS.cpp.

References PDSS::err().

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_SSVol, PDSS_IonsFromNeutral, PDSS_HKFT, PDSS_Water, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 329 of file PDSS.cpp.

References PDSS::err().

Referenced by VPSSMgr_General::_updateStandardStateThermo().

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_SSVol, PDSS_IonsFromNeutral, PDSS_HKFT, PDSS_Water, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 335 of file PDSS.cpp.

References PDSS::err().

Referenced by HMWSoln::setState_TP(), and HMWSoln::speciesMolarVolume().

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 390 of file PDSS.cpp.

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

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 403 of file PDSS.cpp.

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

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 415 of file PDSS.cpp.

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

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 429 of file PDSS.cpp.

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

doublereal refPressure ( ) const

inline

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

inline

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

inline

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 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_SSVol, PDSS_IonsFromNeutral, PDSS_HKFT, PDSS_Water, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 354 of file PDSS.cpp.

References PDSS::err().

Referenced by PDSS::gibbsDelp_mole().

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_SSVol, PDSS_IonsFromNeutral, PDSS_HKFT, PDSS_Water, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 360 of file PDSS.cpp.

References PDSS::err().

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

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_SSVol, PDSS_IonsFromNeutral, PDSS_HKFT, PDSS_Water, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 366 of file PDSS.cpp.

References PDSS::err().

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

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_SSVol, PDSS_IonsFromNeutral, PDSS_HKFT, PDSS_Water, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 372 of file PDSS.cpp.

References PDSS::err().

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

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_SSVol, PDSS_IonsFromNeutral, PDSS_HKFT, PDSS_Water, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 378 of file PDSS.cpp.

References PDSS::err().

Referenced by VPSSMgr_General::_updateRefStateThermo().

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_IonsFromNeutral, PDSS_HKFT, PDSS_Water, and PDSS_IdealGas.

Definition at line 440 of file PDSS.cpp.

References PDSS::m_pres.

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_SSVol, PDSS_IonsFromNeutral, PDSS_HKFT, PDSS_Water, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 479 of file PDSS.cpp.

References PDSS::m_pres.

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 452 of file PDSS.cpp.

void setTemperature ( doublereal temp )

virtual

Set the internal temperature.

Parameters

temp	Temperature (Kelvin)

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

Definition at line 496 of file PDSS.cpp.

References PDSS::m_temp.

Referenced by VPSSMgr_Water_ConstVol::_updateRefStateThermo(), and STITbyPDSS::updatePropertiesTemp().

doublereal temperature ( ) const

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.

void setState_TP	(	doublereal	temp,
		doublereal	pres
	)

virtual

Set the internal temperature and pressure.

Parameters

temp	Temperature (Kelvin)
pres	pressure (Pascals)

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

Definition at line 510 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(), 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_SSVol, PDSS_IonsFromNeutral, PDSS_Water, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 515 of file PDSS.cpp.

References PDSS::err().

doublereal critTemperature ( ) const

virtual

critical temperature

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

Definition at line 459 of file PDSS.cpp.

References PDSS::err().

doublereal critPressure ( ) const

virtual

critical pressure

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

Definition at line 466 of file PDSS.cpp.

References PDSS::err().

doublereal critDensity ( ) const

virtual

critical density

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

Definition at line 473 of file PDSS.cpp.

References PDSS::err().

doublereal satPressure ( doublereal T )

virtual

saturation pressure

Parameters

T	Temperature (Kelvin)

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

Definition at line 521 of file PDSS.cpp.

References PDSS::err().

Referenced by HMWSoln::satPressure().

doublereal molecularWeight ( ) const

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 )

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 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_SSVol, PDSS_Water, PDSS_IonsFromNeutral, PDSS_IdealGas, PDSS_HKFT, and PDSS_ConstVol.

Definition at line 207 of file PDSS.cpp.

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

Referenced by PDSS_ConstVol::constructPDSSXML(), PDSS_SSVol::constructPDSSXML(), PDSS_ConstVol::initThermo(), PDSS_HKFT::initThermo(), PDSS_IdealGas::initThermo(), PDSS_IonsFromNeutral::initThermo(), PDSS_Water::initThermo(), PDSS_SSVol::initThermo(), and 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_SSVol, PDSS_Water, PDSS_IonsFromNeutral, PDSS_HKFT, PDSS_ConstVol, and PDSS_IdealGas.

Definition at line 199 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 PDSS_IdealGas::initThermoXML(), PDSS_ConstVol::initThermoXML(), PDSS_HKFT::initThermoXML(), PDSS_IonsFromNeutral::initThermoXML(), PDSS_Water::initThermoXML(), PDSS_SSVol::initThermoXML(), and VPStandardStateTP::initThermoXML().

void reportParams	(	size_t &	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 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 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 225 of file PDSS.cpp.

References AssertThrow, 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 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, 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

PDSS_enumType m_pdssType

protected

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

mutableprotected

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

mutableprotected

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

protected

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

protected

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

protected

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

protected

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

protected

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

protected

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

protected

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

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 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().