VPSSMgr Class Reference

Virtual base class for the classes that manage the calculation of standard state properties for all the species in a phase. More...

#include <VPSSMgr.h>

Inheritance diagram for VPSSMgr:

Collaboration diagram for VPSSMgr:

Public Member Functions
	VPSSMgr (VPStandardStateTP *vptp_ptr, SpeciesThermo *spth=0)
	Constructor.
virtual	~VPSSMgr ()
	Destructor.
	VPSSMgr (const VPSSMgr &right)
	Copy Constructor for the SpeciesThermo object.
VPSSMgr &	operator= (const VPSSMgr &right)
	Assignment operator for the SpeciesThermo object.
virtual VPSSMgr *	duplMyselfAsVPSSMgr () const
	Duplication routine for objects which inherit from VPSSMgr.
Properties of the Standard State of the Species in the Solution
virtual void	getStandardChemPotentials (doublereal *mu) const
	Get the array of chemical potentials at unit activity.
virtual void	getGibbs_RT (doublereal *grt) const
	Get the nondimensional Gibbs functions for the species at their standard states of solution at the current T and P of the solution.
virtual void	getEnthalpy_RT (doublereal *hrt) const
	Get the nondimensional Enthalpy functions for the species at their standard states at the current T and P of the solution.
const vector_fp &	enthalpy_RT () const
	Return a reference to a vector of the molar enthalpies of the species in their standard states.
virtual void	getEntropy_R (doublereal *sr) const
	Get the array of nondimensional Enthalpy functions for the standard state species at the current T and P of the solution.
const vector_fp &	entropy_R () const
	Return a reference to a vector of the entropies of the species.
virtual void	getIntEnergy_RT (doublereal *urt) const
	Returns the vector of nondimensional internal Energies of the standard state at the current temperature and pressure of the solution for each species.
virtual void	getCp_R (doublereal *cpr) const
	Get the nondimensional Heat Capacities at constant pressure for the standard state of the species at the current T and P.
const vector_fp &	cp_R () const
	Return a reference to a vector of the constant pressure heat capacities of the species.
virtual void	getStandardVolumes (doublereal *vol) const
	Get the molar volumes of each species in their standard states at the current T and P of the solution.
const vector_fp &	standardVolumes () const
	Return a reference to a vector of the species standard molar volumes.
Thermodynamic Values for the Species Reference States (VPStandardStateTP)
virtual void	getEnthalpy_RT_ref (doublereal *hrt) const
virtual void	getGibbs_RT_ref (doublereal *grt) const
const vector_fp &	Gibbs_RT_ref () const
	Return a reference to the vector of Gibbs free energies of the species.
virtual void	getGibbs_ref (doublereal *g) const
virtual void	getEntropy_R_ref (doublereal *er) const
virtual void	getCp_R_ref (doublereal *cpr) const
virtual void	getStandardVolumes_ref (doublereal *vol) const
	Get the molar volumes of the species reference states at the current T and P_ref of the solution.
Utility Methods - Reports on various quantities
virtual PDSS_enumType	reportPDSSType (int index=-1) const
	This utility function reports the type of parameterization used for the species with index number index.
virtual VPSSMgr_enumType	reportVPSSMgrType () const
	This utility function reports the type of manager for the calculation of ss properties.
virtual doublereal	minTemp (size_t k=npos) const
	Minimum temperature.
virtual doublereal	maxTemp (size_t k=npos) const
	Maximum temperature.
virtual doublereal	refPressure (size_t k=npos) const
	The reference-state pressure for the standard state.

Setting the Internal State of the System
virtual void	setState_TP (doublereal T, doublereal P)
	Set the temperature (K) and pressure (Pa)
virtual void	setState_T (doublereal T)
	Set the temperature (K)
virtual void	setState_P (doublereal P)
	Set the pressure (Pa)
doublereal	temperature () const
	Return the temperature stored in the object.
doublereal	pressure () const
	Return the pressure stored in the object.
SpeciesThermo *	SpeciesThermoMgr ()
	Return the pointer to the reference-state Thermo calculator SpeciesThermo object.
virtual void	updateStandardStateThermo ()
	Updates the internal standard state thermodynamic vectors at the current T and P of the solution.
virtual void	updateRefStateThermo () const
	Updates the internal reference state thermodynamic vectors at the current T of the solution and the reference pressure.
virtual void	_updateStandardStateThermo ()
	Updates the standard state thermodynamic functions at the current T and P of the solution.
virtual void	_updateRefStateThermo () const
	Updates the reference state thermodynamic functions at the current T of the solution and the reference pressure.

Initialization Methods - For Internal use (VPStandardState)
size_t	m_kk
	Number of species in the phase.
VPStandardStateTP *	m_vptp_ptr
	Variable pressure ThermoPhase object.
SpeciesThermo *	m_spthermo
	Pointer to reference state thermo calculator.
doublereal	m_tlast
	The last temperature at which the standard state thermodynamic properties were calculated at.
doublereal	m_plast
	The last pressure at which the Standard State thermodynamic properties were calculated at.
doublereal	m_p0
doublereal	m_minTemp
	minimum temperature for the standard state calculations
doublereal	m_maxTemp
	maximum temperature for the standard state calculations
bool	m_useTmpRefStateStorage
vector_fp	m_h0_RT
vector_fp	m_cp0_R
	Vector containing the species reference constant pressure heat capacities at T = m_tlast and P = p_ref.
vector_fp	m_g0_RT
	Vector containing the species reference Gibbs functions at T = m_tlast and P = p_ref.
vector_fp	m_s0_R
	Vector containing the species reference entropies at T = m_tlast and P = p_ref.
vector_fp	m_V0
	Vector containing the species reference molar volumes.
bool	m_useTmpStandardStateStorage
vector_fp	m_hss_RT
	Vector containing the species Standard State enthalpies at T = m_tlast and P = m_plast.
vector_fp	m_cpss_R
	Vector containing the species Standard State constant pressure heat capacities at T = m_tlast and P = m_plast.
vector_fp	m_gss_RT
	Vector containing the species Standard State Gibbs functions at T = m_tlast and P = m_plast.
vector_fp	m_sss_R
	Vector containing the species Standard State entropies at T = m_tlast and P = m_plast.
vector_fp	m_Vss
	Vector containing the species standard state volumes at T = m_tlast and P = m_plast.
vector_fp	mPDSS_h0_RT
	species reference enthalpies - used by individual PDSS objects
vector_fp	mPDSS_cp0_R
	species reference heat capacities - used by individual PDSS objects
vector_fp	mPDSS_g0_RT
	species reference gibbs free energies - used by individual PDSS objects
vector_fp	mPDSS_s0_R
	species reference entropies - used by individual PDSS objects
vector_fp	mPDSS_V0
	species reference state molar Volumes - used by individual PDSS objects
vector_fp	mPDSS_hss_RT
	species standard state enthalpies - used by individual PDSS objects
vector_fp	mPDSS_cpss_R
	species standard state heat capacities - used by individual PDSS objects
vector_fp	mPDSS_gss_RT
	species standard state gibbs free energies - used by individual PDSS objects
vector_fp	mPDSS_sss_R
	species standard state entropies - used by individual PDSS objects
vector_fp	mPDSS_Vss
	species standard state molar Volumes - used by individual PDSS objects
class	PDSS
virtual void	initThermo ()
void	initLengths ()
	Initialize the lengths within the object.
virtual void	initThermoXML (XML_Node &phaseNode, std::string id)
	Finalize the thermo after all species have been entered.
void	installSTSpecies (size_t k, const XML_Node &speciesNode, const XML_Node *phaseNode_ptr)
	Install specific content for species k in the reference-state thermodynamic SpeciesManager object.
virtual PDSS *	createInstallPDSS (size_t k, const XML_Node &speciesNode, const XML_Node *const phaseNode_ptr)
	Install specific content for species k in the standard-state thermodynamic calculator and also create/return a PDSS object for that species.
virtual void	initAllPtrs (VPStandardStateTP *vp_ptr, SpeciesThermo *sp_ptr)
	Initialize the internal shallow pointers in this object.
void	err (std::string msg) const
	Error message to indicate an unimplemented feature.

Detailed Description

Virtual base class for the classes that manage the calculation of standard state properties for all the species in a phase.

This class defines the interface which all subclasses must implement.

Class VPSSMgr is the base class for a family of classes that compute properties of a set of species in their standard state at a range of temperatures and pressures.

and pressure are unchanged.

If m_useTmpRefStateStorage is set to true, then the following internal arrays, containing information about the reference arrays, are calculated and kept up to date at every call.

• m_h0_RT
• m_g0_RT
• m_s0_R
• m_cp0_R

The virtual function _updateRefStateThermo() is supplied to do this and may be reimplemented in child routines. A default implementation based on the speciesThermo class is supplied in this base class. _updateStandardStateThermo() is called whenever a reference state property is needed.

When m_useTmpStandardStateStorage is true, then the following internal arrays, containing information on the standard state properties are calculated and kept up to date.

• m_hss_RT;
• m_cpss_R;
• m_gss_RT;
• m_sss_R;
• m_Vss

The virtual function _updateStandardStateThermo() is supplied to do this and must be reimplemented in child routines, when m_useTmpStandardStateStorage is true. It may be optionally reimplemented in child routines if m_useTmpStandardStateStorage is false. _updateStandardStateThermo() is called whenever a standard state property is needed.

This class is usually used for nearly incompressible phases. For those phases, it makes sense to change the equation of state independent variable from density to pressure.

Definition at line 262 of file VPSSMgr.h.

Constructor & Destructor Documentation

VPSSMgr	(	VPStandardStateTP *	vptp_ptr,
		SpeciesThermo *	spth = 0
	)

Constructor.

Parameters

vptp_ptr	Pointer to the Variable pressure ThermoPhase object This object must have already been malloced.
spth	Pointer to the optional SpeciesThermo object that will handle the calculation of the reference state thermodynamic coefficients.

Definition at line 28 of file VPSSMgr.cpp.

References VPSSMgr::m_vptp_ptr.

Referenced by VPSSMgr::duplMyselfAsVPSSMgr().

~VPSSMgr ( )

virtual

Destructor.

Definition at line 46 of file VPSSMgr.cpp.

VPSSMgr

(

const VPSSMgr &

right

)

Copy Constructor for the SpeciesThermo object.

Parameters

right

Reference to SpeciesThermo object to be copied into the current one.

Definition at line 50 of file VPSSMgr.cpp.

Member Function Documentation

VPSSMgr & operator=

(

const VPSSMgr &

right

)

Assignment operator for the SpeciesThermo object.

This is NOT a virtual function.

Parameters

right

Reference to SpeciesThermo object to be copied into the current one.

Definition at line 73 of file VPSSMgr.cpp.

References VPSSMgr::m_cp0_R, VPSSMgr::m_cpss_R, VPSSMgr::m_g0_RT, VPSSMgr::m_gss_RT, VPSSMgr::m_h0_RT, VPSSMgr::m_hss_RT, VPSSMgr::m_kk, VPSSMgr::m_maxTemp, VPSSMgr::m_minTemp, VPSSMgr::m_p0, VPSSMgr::m_plast, VPSSMgr::m_s0_R, VPSSMgr::m_spthermo, VPSSMgr::m_sss_R, VPSSMgr::m_tlast, VPSSMgr::m_useTmpRefStateStorage, VPSSMgr::m_useTmpStandardStateStorage, VPSSMgr::m_V0, VPSSMgr::m_vptp_ptr, VPSSMgr::m_Vss, 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 VPSSMgr_ConstVol::operator=(), VPSSMgr_IdealGas::operator=(), VPSSMgr_Water_ConstVol::operator=(), VPSSMgr_Water_HKFT::operator=(), and VPSSMgr_General::operator=().

VPSSMgr * duplMyselfAsVPSSMgr ( ) const

virtual

Duplication routine for objects which inherit from VPSSMgr.

This virtual routine can be used to duplicate VPSSMgr objects inherited from VPSSMgr even if the application only has a pointer to VPSSMgr to work with.

Reimplemented in VPSSMgr_General, VPSSMgr_Water_HKFT, VPSSMgr_Water_ConstVol, VPSSMgr_IdealGas, and VPSSMgr_ConstVol.

Definition at line 126 of file VPSSMgr.cpp.

References VPSSMgr::VPSSMgr().

void getStandardChemPotentials ( doublereal *  mu ) const

virtual

Get the array of chemical potentials at unit activity.

These are the standard state chemical potentials \( \mu^0_k(T,P) \). The values are evaluated at the current temperature and pressure.

Parameters

mu	Output vector of standard state chemical potentials. length = m_kk. units are J / kmol.

Definition at line 158 of file VPSSMgr.cpp.

References VPSSMgr::err(), Cantera::GasConstant, VPSSMgr::m_gss_RT, VPSSMgr::m_kk, VPSSMgr::m_tlast, VPSSMgr::m_useTmpStandardStateStorage, and Cantera::scale().

Referenced by VPStandardStateTP::getPureGibbs().

void getGibbs_RT ( doublereal *  grt ) const

virtual

Get the nondimensional Gibbs functions for the species at their standard states of solution at the current T and P of the solution.

Parameters

grt	Output vector of nondimensional standard state Gibbs free energies. length = m_kk.

Definition at line 170 of file VPSSMgr.cpp.

References VPSSMgr::err(), VPSSMgr::m_gss_RT, and VPSSMgr::m_useTmpStandardStateStorage.

Referenced by VPStandardStateTP::getGibbs_RT().

void getEnthalpy_RT ( doublereal *  hrt ) const

virtual

Get the nondimensional Enthalpy functions for the species at their standard states at the current T and P of the solution.

Parameters

hrt	Output vector of standard state enthalpies. length = m_kk. units are unitless.

Definition at line 180 of file VPSSMgr.cpp.

References VPSSMgr::err(), VPSSMgr::m_hss_RT, and VPSSMgr::m_useTmpStandardStateStorage.

Referenced by VPStandardStateTP::getEnthalpy_RT(), and VPSSMgr_IdealGas::getIntEnergy_RT().

const vector_fp& enthalpy_RT ( ) const

inline

Return a reference to a vector of the molar enthalpies of the species in their standard states.

Definition at line 345 of file VPSSMgr.h.

References VPSSMgr::m_hss_RT.

Referenced by IdealSolnGasVPSS::enthalpy_mole().

void getEntropy_R ( doublereal *  sr ) const

virtual

Get the array of nondimensional Enthalpy functions for the standard state species at the current T and P of the solution.

Parameters

sr	Output vector of nondimensional standard state entropies. length = m_kk.

Definition at line 190 of file VPSSMgr.cpp.

References VPSSMgr::err(), VPSSMgr::m_sss_R, and VPSSMgr::m_useTmpStandardStateStorage.

Referenced by VPStandardStateTP::getEntropy_R().

const vector_fp& entropy_R ( ) const

inline

Return a reference to a vector of the entropies of the species.

Definition at line 361 of file VPSSMgr.h.

References VPSSMgr::m_sss_R.

Referenced by IdealSolnGasVPSS::entropy_mole().

void getIntEnergy_RT ( doublereal *  urt ) const

virtual

Returns the vector of nondimensional internal Energies of the standard state at the current temperature and pressure of the solution for each species.

The internal energy is calculated from the enthalpy from the following formula:

\[ u^{ss}_k(T,P) = h^{ss}_k(T) - P * V^{ss}_k \]

Parameters

urt	Output vector of nondimensional standard state internal energies. length = m_kk.

Reimplemented in VPSSMgr_IdealGas.

Definition at line 200 of file VPSSMgr.cpp.

References VPSSMgr::err(), Cantera::GasConstant, VPSSMgr::m_hss_RT, VPSSMgr::m_kk, VPSSMgr::m_plast, VPSSMgr::m_tlast, VPSSMgr::m_useTmpStandardStateStorage, and VPSSMgr::m_Vss.

Referenced by VPStandardStateTP::getIntEnergy_RT().

void getCp_R ( doublereal *  cpr ) const

virtual

Get the nondimensional Heat Capacities at constant pressure for the standard state of the species at the current T and P.

This is redefined here to call the internal function, _updateStandardStateThermo(), which calculates all standard state properties at the same time.

Parameters

cpr	Output vector containing the the nondimensional Heat Capacities at constant pressure for the standard state of the species. Length: m_kk.

Definition at line 214 of file VPSSMgr.cpp.

References VPSSMgr::err(), VPSSMgr::m_cpss_R, and VPSSMgr::m_useTmpStandardStateStorage.

Referenced by VPStandardStateTP::getCp_R().

const vector_fp& cp_R ( ) const

inline

Return a reference to a vector of the constant pressure heat capacities of the species.

Definition at line 398 of file VPSSMgr.h.

References VPSSMgr::m_cpss_R.

Referenced by IdealSolnGasVPSS::cp_mole().

void getStandardVolumes ( doublereal *  vol ) const

virtual

Get the molar volumes of each species in their standard states at the current T and P of the solution.

units = m^3 / kmol

This is redefined here to call the internal function, _updateStandardStateThermo(), which calculates all standard state properties at the same time.

Parameters

vol	Output vector of species volumes. length = m_kk. units = m^3 / kmol

Reimplemented in VPSSMgr_IdealGas.

Definition at line 224 of file VPSSMgr.cpp.

References VPSSMgr::err(), VPSSMgr::m_useTmpStandardStateStorage, and VPSSMgr::m_Vss.

Referenced by VPStandardStateTP::getStandardVolumes(), and VPSSMgr::getStandardVolumes_ref().

const vector_fp& standardVolumes ( ) const

inline

Return a reference to a vector of the species standard molar volumes.

Definition at line 418 of file VPSSMgr.h.

References VPSSMgr::m_Vss.

Referenced by IdealSolnGasVPSS::calcDensity(), IdealSolnGasVPSS::getActivityConcentrations(), and IdealSolnGasVPSS::standardConcentration().

void getEnthalpy_RT_ref ( doublereal *  hrt ) const

virtual

There are also temporary variables for holding the species reference-state values of Cp, H, S, and V at the last temperature and reference pressure called. These functions are not recalculated if a new call is made using the previous temperature. All calculations are done within the routine _updateRefStateThermo().

Returns the vector of nondimensional enthalpies of the reference state at the current temperature of the solution and the reference pressure for the species.

Parameters

hrt	Output vector contains the nondimensional enthalpies of the reference state of the species length = m_kk, units = dimensionless.

Reimplemented in VPSSMgr_Water_ConstVol, and VPSSMgr_Water_HKFT.

Definition at line 235 of file VPSSMgr.cpp.

References VPSSMgr::err(), VPSSMgr::m_h0_RT, and VPSSMgr::m_useTmpRefStateStorage.

Referenced by VPStandardStateTP::getEnthalpy_RT_ref().

void getGibbs_RT_ref ( doublereal *  grt ) const

virtual

Returns the vector of nondimensional Gibbs free energies of the reference state at the current temperature of the solution and the reference pressure for the species.

Parameters

grt	Output vector contains the nondimensional Gibbs free energies of the reference state of the species length = m_kk, units = dimensionless.

Reimplemented in VPSSMgr_Water_ConstVol, VPSSMgr_ConstVol, and VPSSMgr_Water_HKFT.

Definition at line 245 of file VPSSMgr.cpp.

References VPSSMgr::err(), VPSSMgr::m_g0_RT, and VPSSMgr::m_useTmpRefStateStorage.

Referenced by VPStandardStateTP::getGibbs_RT_ref().

const vector_fp& Gibbs_RT_ref ( ) const

inline

Return a reference to the vector of Gibbs free energies of the species.

Definition at line 460 of file VPSSMgr.h.

References VPSSMgr::m_g0_RT.

Referenced by IdealSolnGasVPSS::setToEquilState().

void getGibbs_ref ( doublereal *  g ) const

virtual

Returns the vector of the gibbs function of the reference state at the current temperature of the solution and the reference pressure for the species. units = J/kmol

Parameters

g	Output vector contain the Gibbs free energies of the reference state of the species length = m_kk, units = J/kmol.

Reimplemented in VPSSMgr_Water_ConstVol, VPSSMgr_General, and VPSSMgr_Water_HKFT.

Definition at line 255 of file VPSSMgr.cpp.

References VPSSMgr::err(), Cantera::GasConstant, VPSSMgr::m_g0_RT, VPSSMgr::m_kk, VPSSMgr::m_tlast, VPSSMgr::m_useTmpRefStateStorage, and Cantera::scale().

Referenced by VPStandardStateTP::getGibbs_ref().

void getEntropy_R_ref ( doublereal *  er ) const

virtual

Returns the vector of nondimensional entropies of the reference state at the current temperature of the solution and the reference pressure for the species.

Parameters

er	Output vector contain the nondimensional entropies of the species in their reference states length: m_kk, units: dimensionless.

Reimplemented in VPSSMgr_Water_ConstVol, and VPSSMgr_Water_HKFT.

Definition at line 267 of file VPSSMgr.cpp.

References VPSSMgr::err(), VPSSMgr::m_s0_R, and VPSSMgr::m_useTmpRefStateStorage.

Referenced by VPStandardStateTP::getEntropy_R_ref().

void getCp_R_ref ( doublereal *  cpr ) const

virtual

Returns the vector of nondimensional constant pressure heat capacities of the reference state at the current temperature of the solution and reference pressure for the species.

Parameters

cpr	Output vector contains the nondimensional heat capacities of the species in their reference states length: m_kk, units: dimensionless.

Reimplemented in VPSSMgr_Water_ConstVol, and VPSSMgr_Water_HKFT.

Definition at line 277 of file VPSSMgr.cpp.

References VPSSMgr::err(), VPSSMgr::m_cp0_R, and VPSSMgr::m_useTmpRefStateStorage.

Referenced by VPStandardStateTP::getCp_R_ref().

void getStandardVolumes_ref ( doublereal *  vol ) const

virtual

Get the molar volumes of the species reference states at the current T and P_ref of the solution.

units = m^3 / kmol

Parameters

vol	Output vector containing the standard state volumes. Length: m_kk.

Reimplemented in VPSSMgr_Water_ConstVol, VPSSMgr_Water_HKFT, and VPSSMgr_ConstVol.

Definition at line 287 of file VPSSMgr.cpp.

References VPSSMgr::getStandardVolumes().

Referenced by VPStandardStateTP::getStandardVolumes_ref().

void setState_TP ( doublereal  T, doublereal  P  )

virtual

Set the temperature (K) and pressure (Pa)

All calls to change the internal state of the system's T and P are done through these routines

• setState_TP()
• setState_T()
• setState_P()

These routine in turn call the following underlying virtual functions

• _updateRefStateThermo()
• _updateStandardStateThermo()

An important point to note is that between calls the assumption that the underlying PDSS objects will retain their set Temperatures and Pressure CAN NOT BE MADE. For efficiency reasons, we may twiddle these to get derivatives.

This sets the temperature and pressure and triggers calculation of underlying quantities

Parameters

T	Temperature (K)
P	Pressure (Pa)

Reimplemented in VPSSMgr_Water_HKFT.

Definition at line 312 of file VPSSMgr.cpp.

References VPSSMgr::m_plast, VPSSMgr::m_tlast, VPSSMgr::updateRefStateThermo(), and VPSSMgr::updateStandardStateThermo().

Referenced by VPStandardStateTP::_updateStandardStateThermo(), and VPStandardStateTP::operator=().

void setState_T ( doublereal  T )

virtual

Set the temperature (K)

Parameters

T	Temperature (K)

Reimplemented in VPSSMgr_Water_HKFT.

Definition at line 303 of file VPSSMgr.cpp.

References VPSSMgr::m_tlast, VPSSMgr::updateRefStateThermo(), and VPSSMgr::updateStandardStateThermo().

void setState_P ( doublereal  P )

virtual

Set the pressure (Pa)

Parameters

P	Pressure (Pa)

Reimplemented in VPSSMgr_Water_HKFT.

Definition at line 295 of file VPSSMgr.cpp.

References VPSSMgr::m_plast, and VPSSMgr::updateStandardStateThermo().

doublereal temperature ( ) const

inline

Return the temperature stored in the object.

Definition at line 553 of file VPSSMgr.h.

References VPSSMgr::m_tlast.

Referenced by VPSSMgr_IdealGas::_updateStandardStateThermo(), PDSS_IdealGas::temperature(), and PDSS_IonsFromNeutral::temperature().

doublereal pressure ( ) const

inline

Return the pressure stored in the object.

Definition at line 558 of file VPSSMgr.h.

References VPSSMgr::m_plast.

SpeciesThermo* SpeciesThermoMgr ( )

inline

Return the pointer to the reference-state Thermo calculator SpeciesThermo object.

Definition at line 564 of file VPSSMgr.h.

References VPSSMgr::m_spthermo.

Referenced by Cantera::importPhase().

void updateStandardStateThermo ( )

virtual

Updates the internal standard state thermodynamic vectors at the current T and P of the solution.

If you are to peak internally inside the object, you need to call these functions after setState functions in order to be sure that the vectors are current.

Definition at line 325 of file VPSSMgr.cpp.

References VPSSMgr::_updateStandardStateThermo().

Referenced by VPSSMgr::setState_P(), VPSSMgr::setState_T(), and VPSSMgr::setState_TP().

void updateRefStateThermo ( ) const

virtual

Updates the internal reference state thermodynamic vectors at the current T of the solution and the reference pressure.

If you are to peak internally inside the object, you need to call these functions after setState functions in order to be sure that the vectors are current.

Reimplemented in VPSSMgr_Water_HKFT.

Definition at line 330 of file VPSSMgr.cpp.

References VPSSMgr::_updateRefStateThermo().

Referenced by VPSSMgr::setState_T(), and VPSSMgr::setState_TP().

void _updateStandardStateThermo ( )

protectedvirtual

Updates the standard state thermodynamic functions at the current T and P of the solution.

If m_useTmpStandardStateStorage is true, this function must be called for every call to functions in this class. It checks to see whether the temperature or pressure has changed and thus the ss thermodynamics functions for all of the species must be recalculated.

This function is responsible for updating the following internal members, when m_useTmpStandardStateStorage is true.

• m_hss_RT;
• m_cpss_R;
• m_gss_RT;
• m_sss_R;
• m_Vss

If m_useTmpStandardStateStorage is not true, this function may be required to be called by child classes to update internal member data.

Note, this will throw an error. It must be reimplemented in derived classes.

Underscore updates never check for the state of the system They just do the calculation.

Reimplemented in VPSSMgr_Water_HKFT, VPSSMgr_IdealGas, VPSSMgr_General, VPSSMgr_Water_ConstVol, and VPSSMgr_ConstVol.

Definition at line 335 of file VPSSMgr.cpp.

References VPSSMgr::err(), VPSSMgr::m_kk, VPSSMgr::m_plast, VPSSMgr::m_tlast, VPSSMgr::m_vptp_ptr, and PDSS::setState_TP().

Referenced by VPSSMgr::updateStandardStateThermo().

void _updateRefStateThermo ( ) const

protectedvirtual

Updates the reference state thermodynamic functions at the current T of the solution and the reference pressure.

Underscore updates never check for the state of the system They just do the calculation.

Reimplemented in VPSSMgr_Water_HKFT, VPSSMgr_Water_ConstVol, and VPSSMgr_General.

Definition at line 344 of file VPSSMgr.cpp.

References VPSSMgr::m_cp0_R, VPSSMgr::m_g0_RT, VPSSMgr::m_h0_RT, VPSSMgr::m_kk, VPSSMgr::m_s0_R, VPSSMgr::m_spthermo, VPSSMgr::m_tlast, and SpeciesThermo::update().

Referenced by VPSSMgr::updateRefStateThermo().

PDSS_enumType reportPDSSType ( int  index = -1 ) const

virtual

This utility function reports the type of parameterization used for the species with index number index.

The following methods are used in the process of reporting various states and attributes

Parameters

index

Species index

Reimplemented in VPSSMgr_Water_HKFT, VPSSMgr_Water_ConstVol, VPSSMgr_General, VPSSMgr_ConstVol, and VPSSMgr_IdealGas.

Definition at line 487 of file VPSSMgr.cpp.

References VPSSMgr::err().

VPSSMgr_enumType reportVPSSMgrType ( ) const

virtual

This utility function reports the type of manager for the calculation of ss properties.

Returns

Returns an enum type called VPSSMgr_enumType, which is a list of the known VPSSMgr objects

Reimplemented in VPSSMgr_Water_HKFT, VPSSMgr_Water_ConstVol, VPSSMgr_General, VPSSMgr_ConstVol, and VPSSMgr_IdealGas.

Definition at line 494 of file VPSSMgr.cpp.

References VPSSMgr::err().

doublereal minTemp ( size_t  k = npos ) const

virtual

Minimum temperature.

If no argument is supplied, this method returns the minimum temperature for which all parameterizations are valid. If an integer index k is supplied, then the value returned is the minimum temperature for species k in the phase.

Parameters

k	Species index

Definition at line 460 of file VPSSMgr.cpp.

References VPSSMgr::m_minTemp, VPSSMgr::m_vptp_ptr, PDSS::minTemp(), and Cantera::npos.

Referenced by VPSSMgr_General::createInstallPDSS(), PDSS::initThermoXML(), and STITbyPDSS::reportParameters().

doublereal maxTemp ( size_t  k = npos ) const

virtual

Maximum temperature.

If no argument is supplied, this method returns the maximum temperature for which all parameterizations are valid. If an integer index k is supplied, then the value returned is the maximum temperature for parameterization k.

Parameters

k	Species Index

Definition at line 469 of file VPSSMgr.cpp.

References VPSSMgr::m_maxTemp, VPSSMgr::m_vptp_ptr, PDSS::maxTemp(), and Cantera::npos.

Referenced by VPSSMgr_General::createInstallPDSS(), PDSS::initThermoXML(), and STITbyPDSS::reportParameters().

doublereal refPressure ( size_t  k = npos ) const

virtual

The reference-state pressure for the standard state.

returns the reference state pressure in Pascals for species k. If k is left out of the argument list, it returns the reference state pressure for the first species. Note that some SpeciesThermo implementations, such as those for ideal gases, require that all species in the same phase have the same reference state pressures.

Parameters

k	Species index. Default is -1, which returns the generic answer.

Definition at line 478 of file VPSSMgr.cpp.

References VPSSMgr::m_p0, VPSSMgr::m_vptp_ptr, Cantera::npos, and PDSS::refPressure().

Referenced by PDSS::initThermoXML(), and IdealSolnGasVPSS::setToEquilState().

void initThermo ( )

virtual

The following methods are used in the process of constructing the phase and setting its parameters from a specification in an input file. They are not normally used in application programs. To see how they are used, see files importCTML.cpp and ThermoFactory.cpp.

Initialize the object

This method is provided to allow subclasses to perform any initialization required after all species have been added. For example, it might be used to resize internal work arrays that must have an entry for each species. The base class implementation does nothing, and subclasses that do not require initialization do not need to overload this method. When importing a CTML phase description, this method is called just prior to returning from function importPhase().

See Also

importCTML.cpp

Reimplemented in VPSSMgr_Water_HKFT, VPSSMgr_Water_ConstVol, VPSSMgr_General, and VPSSMgr_ConstVol.

Definition at line 358 of file VPSSMgr.cpp.

References VPSSMgr::initLengths().

Referenced by VPSSMgr_ConstVol::initThermo(), VPSSMgr_Water_ConstVol::initThermo(), VPSSMgr_Water_HKFT::initThermo(), VPStandardStateTP::initThermo(), and PDSS::initThermo().

void initLengths

(

)

Initialize the lengths within the object.

Note this function is not virtual

Definition at line 364 of file VPSSMgr.cpp.

References VPSSMgr::m_cp0_R, VPSSMgr::m_cpss_R, VPSSMgr::m_g0_RT, VPSSMgr::m_gss_RT, VPSSMgr::m_h0_RT, VPSSMgr::m_hss_RT, VPSSMgr::m_kk, VPSSMgr::m_s0_R, VPSSMgr::m_sss_R, VPSSMgr::m_V0, VPSSMgr::m_vptp_ptr, VPSSMgr::m_Vss, 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, VPSSMgr::mPDSS_Vss, and Phase::nSpecies().

Referenced by VPSSMgr_General::initThermo(), and VPSSMgr::initThermo().

void initThermoXML ( XML_Node &  phaseNode, std::string  id  )

virtual

Finalize the thermo after all species have been entered.

This function is the LAST initialization routine to be called. It's called after createInstallPDSS() has been called for each species in the phase, and after initThermo() has been called. It's called via an inner-to-outer onion shell like manner.

In this routine, we currently calculate the reference pressure, the minimum and maximum temperature for the applicability of the thermo formulation.

Parameters

phaseNode	Reference to the phaseNode XML node.
id	ID of the phase.

Reimplemented in VPSSMgr_Water_HKFT, VPSSMgr_Water_ConstVol, VPSSMgr_General, VPSSMgr_ConstVol, and VPSSMgr_IdealGas.

Definition at line 393 of file VPSSMgr.cpp.

References VPSSMgr::m_kk, VPSSMgr::m_maxTemp, VPSSMgr::m_minTemp, VPSSMgr::m_p0, VPSSMgr::m_spthermo, VPSSMgr::m_vptp_ptr, PDSS::maxTemp(), PDSS::minTemp(), SpeciesThermo::refPressure(), and PDSS::refPressure().

Referenced by VPSSMgr_ConstVol::initThermoXML(), VPSSMgr_IdealGas::initThermoXML(), VPSSMgr_General::initThermoXML(), VPSSMgr_Water_ConstVol::initThermoXML(), VPSSMgr_Water_HKFT::initThermoXML(), and VPStandardStateTP::initThermoXML().

void installSTSpecies	(	size_t	k,
		const XML_Node &	speciesNode,
		const XML_Node *	phaseNode_ptr
	)

Install specific content for species k in the reference-state thermodynamic SpeciesManager object.

This occurs before matrices are sized appropriately.

Parameters

k	Species index in the phase
speciesNode	XML Node corresponding to the species
phaseNode_ptr	Pointer to the XML Node corresponding to the phase which owns the species

Definition at line 440 of file VPSSMgr.cpp.

References SpeciesThermoFactory::factory(), SpeciesThermoFactory::installThermoForSpecies(), VPSSMgr::m_p0, VPSSMgr::m_spthermo, VPSSMgr::m_vptp_ptr, and SpeciesThermo::refPressure().

Referenced by VPSSMgr_ConstVol::createInstallPDSS(), VPSSMgr_Water_ConstVol::createInstallPDSS(), and VPSSMgr_General::returnPDSS_ptr().

PDSS * createInstallPDSS ( size_t  k, const XML_Node &  speciesNode, const XML_Node *const  phaseNode_ptr  )

virtual

Install specific content for species k in the standard-state thermodynamic calculator and also create/return a PDSS object for that species.

This occurs before matrices are sized appropriately.

Parameters

k	Species index in the phase
speciesNode	XML Node corresponding to the species
phaseNode_ptr	Pointer to the XML Node corresponding to the phase which owns the species

Reimplemented in VPSSMgr_Water_HKFT, VPSSMgr_Water_ConstVol, VPSSMgr_General, VPSSMgr_ConstVol, and VPSSMgr_IdealGas.

Definition at line 451 of file VPSSMgr.cpp.

References VPSSMgr::err().

void initAllPtrs ( VPStandardStateTP *  vp_ptr, SpeciesThermo *  sp_ptr  )

virtual

Initialize the internal shallow pointers in this object.

There are a bunch of internal shallow pointers that point to the owning VPStandardStateTP and SpeciesThermo objects. This function reinitializes them. This function is called like an onion.

Parameters

vp_ptr	Pointer to the VPStandardStateTP standard state
sp_ptr	Pointer to the SpeciesThermo standard state

Reimplemented in VPSSMgr_Water_ConstVol, and VPSSMgr_General.

Definition at line 132 of file VPSSMgr.cpp.

References STITbyPDSS::initAllPtrs(), VPSSMgr::m_kk, VPSSMgr::m_spthermo, VPSSMgr::m_vptp_ptr, and GeneralSpeciesThermo::provideSTIT().

Referenced by VPSSMgr_General::initAllPtrs(), VPSSMgr_Water_ConstVol::initAllPtrs(), and VPStandardStateTP::operator=().

void err ( std::string  msg ) const

private

Error message to indicate an unimplemented feature.

Parameters

msg	Error message string

Definition at line 502 of file VPSSMgr.cpp.

Referenced by VPSSMgr::_updateStandardStateThermo(), VPSSMgr::createInstallPDSS(), VPSSMgr::getCp_R(), VPSSMgr::getCp_R_ref(), VPSSMgr::getEnthalpy_RT(), VPSSMgr::getEnthalpy_RT_ref(), VPSSMgr::getEntropy_R(), VPSSMgr::getEntropy_R_ref(), VPSSMgr::getGibbs_ref(), VPSSMgr::getGibbs_RT(), VPSSMgr::getGibbs_RT_ref(), VPSSMgr::getIntEnergy_RT(), VPSSMgr::getStandardChemPotentials(), VPSSMgr::getStandardVolumes(), VPSSMgr::reportPDSSType(), and VPSSMgr::reportVPSSMgrType().

Member Data Documentation

size_t m_kk

protected

Number of species in the phase.

Definition at line 785 of file VPSSMgr.h.

Referenced by VPSSMgr_General::_updateRefStateThermo(), VPSSMgr_Water_ConstVol::_updateRefStateThermo(), VPSSMgr_Water_HKFT::_updateRefStateThermo(), VPSSMgr::_updateRefStateThermo(), VPSSMgr_ConstVol::_updateStandardStateThermo(), VPSSMgr_Water_ConstVol::_updateStandardStateThermo(), VPSSMgr_General::_updateStandardStateThermo(), VPSSMgr_IdealGas::_updateStandardStateThermo(), VPSSMgr_Water_HKFT::_updateStandardStateThermo(), VPSSMgr::_updateStandardStateThermo(), VPSSMgr_General::createInstallPDSS(), VPSSMgr_Water_HKFT::getGibbs_ref(), VPSSMgr_General::getGibbs_ref(), VPSSMgr_Water_ConstVol::getGibbs_ref(), VPSSMgr::getGibbs_ref(), VPSSMgr_IdealGas::getIntEnergy_RT(), VPSSMgr::getIntEnergy_RT(), VPSSMgr::getStandardChemPotentials(), VPSSMgr_General::initAllPtrs(), VPSSMgr::initAllPtrs(), VPSSMgr::initLengths(), VPSSMgr_ConstVol::initThermoXML(), VPSSMgr_Water_ConstVol::initThermoXML(), VPSSMgr_Water_HKFT::initThermoXML(), VPSSMgr::initThermoXML(), VPSSMgr_General::operator=(), and VPSSMgr::operator=().

VPStandardStateTP* m_vptp_ptr

protected

Variable pressure ThermoPhase object.

Definition at line 788 of file VPSSMgr.h.

Referenced by VPSSMgr_Water_ConstVol::_updateRefStateThermo(), VPSSMgr_Water_HKFT::_updateRefStateThermo(), VPSSMgr_Water_ConstVol::_updateStandardStateThermo(), VPSSMgr_Water_HKFT::_updateStandardStateThermo(), VPSSMgr::_updateStandardStateThermo(), VPSSMgr_IdealGas::createInstallPDSS(), VPSSMgr_ConstVol::createInstallPDSS(), VPSSMgr_Water_ConstVol::createInstallPDSS(), VPSSMgr_Water_HKFT::createInstallPDSS(), VPSSMgr_Water_ConstVol::getStandardVolumes_ref(), VPSSMgr_General::initAllPtrs(), VPSSMgr_Water_ConstVol::initAllPtrs(), VPSSMgr::initAllPtrs(), VPSSMgr::initLengths(), VPSSMgr_ConstVol::initThermoXML(), VPSSMgr_Water_ConstVol::initThermoXML(), VPSSMgr_Water_HKFT::initThermoXML(), VPSSMgr::initThermoXML(), VPSSMgr::installSTSpecies(), VPSSMgr::maxTemp(), VPSSMgr::minTemp(), VPSSMgr_Water_HKFT::operator=(), VPSSMgr_General::operator=(), VPSSMgr::operator=(), VPSSMgr::refPressure(), VPSSMgr_General::returnPDSS_ptr(), and VPSSMgr::VPSSMgr().

SpeciesThermo* m_spthermo

protected

Pointer to reference state thermo calculator.

Note, this can have a value of 0

Definition at line 794 of file VPSSMgr.h.

Referenced by VPSSMgr_Water_ConstVol::_updateRefStateThermo(), VPSSMgr::_updateRefStateThermo(), VPSSMgr_IdealGas::createInstallPDSS(), VPSSMgr_Water_ConstVol::createInstallPDSS(), VPSSMgr_Water_HKFT::createInstallPDSS(), VPSSMgr::initAllPtrs(), VPSSMgr::initThermoXML(), VPSSMgr::installSTSpecies(), VPSSMgr::operator=(), VPSSMgr_General::returnPDSS_ptr(), and VPSSMgr::SpeciesThermoMgr().

doublereal m_tlast

mutableprotected

The last temperature at which the standard state thermodynamic properties were calculated at.

Definition at line 798 of file VPSSMgr.h.

Referenced by VPSSMgr_General::_updateRefStateThermo(), VPSSMgr_Water_ConstVol::_updateRefStateThermo(), VPSSMgr_Water_HKFT::_updateRefStateThermo(), VPSSMgr::_updateRefStateThermo(), VPSSMgr_ConstVol::_updateStandardStateThermo(), VPSSMgr_Water_ConstVol::_updateStandardStateThermo(), VPSSMgr_General::_updateStandardStateThermo(), VPSSMgr_Water_HKFT::_updateStandardStateThermo(), VPSSMgr::_updateStandardStateThermo(), VPSSMgr_Water_ConstVol::getCp_R_ref(), VPSSMgr_Water_ConstVol::getEnthalpy_RT_ref(), VPSSMgr_Water_ConstVol::getEntropy_R_ref(), VPSSMgr_Water_HKFT::getGibbs_ref(), VPSSMgr_General::getGibbs_ref(), VPSSMgr_Water_ConstVol::getGibbs_ref(), VPSSMgr::getGibbs_ref(), VPSSMgr_Water_ConstVol::getGibbs_RT_ref(), VPSSMgr::getIntEnergy_RT(), VPSSMgr::getStandardChemPotentials(), VPSSMgr_Water_ConstVol::getStandardVolumes_ref(), VPSSMgr::operator=(), VPSSMgr_Water_HKFT::setState_T(), VPSSMgr::setState_T(), VPSSMgr_Water_HKFT::setState_TP(), VPSSMgr::setState_TP(), VPSSMgr::temperature(), and VPSSMgr_Water_HKFT::updateRefStateThermo().

doublereal m_plast

mutableprotected

The last pressure at which the Standard State thermodynamic properties were calculated at.

Definition at line 802 of file VPSSMgr.h.

Referenced by VPSSMgr_General::_updateRefStateThermo(), VPSSMgr_Water_ConstVol::_updateRefStateThermo(), VPSSMgr_Water_HKFT::_updateRefStateThermo(), VPSSMgr_ConstVol::_updateStandardStateThermo(), VPSSMgr_Water_ConstVol::_updateStandardStateThermo(), VPSSMgr_General::_updateStandardStateThermo(), VPSSMgr_IdealGas::_updateStandardStateThermo(), VPSSMgr_Water_HKFT::_updateStandardStateThermo(), VPSSMgr::_updateStandardStateThermo(), VPSSMgr_Water_ConstVol::getCp_R_ref(), VPSSMgr_Water_ConstVol::getEnthalpy_RT_ref(), VPSSMgr_Water_ConstVol::getEntropy_R_ref(), VPSSMgr_General::getGibbs_ref(), VPSSMgr_Water_ConstVol::getGibbs_RT_ref(), VPSSMgr::getIntEnergy_RT(), VPSSMgr_Water_ConstVol::getStandardVolumes_ref(), VPSSMgr::operator=(), VPSSMgr::pressure(), VPSSMgr_Water_HKFT::setState_P(), VPSSMgr::setState_P(), VPSSMgr_Water_HKFT::setState_TP(), and VPSSMgr::setState_TP().

doublereal m_p0

mutableprotected

Reference pressure (Pa) must be the same for all species

• defaults to 1 atm.

Definition at line 808 of file VPSSMgr.h.

Referenced by VPSSMgr_Water_ConstVol::_updateRefStateThermo(), VPSSMgr_Water_HKFT::_updateRefStateThermo(), VPSSMgr_ConstVol::_updateStandardStateThermo(), VPSSMgr_IdealGas::_updateStandardStateThermo(), VPSSMgr_IdealGas::createInstallPDSS(), VPSSMgr_General::createInstallPDSS(), VPSSMgr_Water_ConstVol::getCp_R_ref(), VPSSMgr_Water_ConstVol::getEnthalpy_RT_ref(), VPSSMgr_Water_ConstVol::getEntropy_R_ref(), VPSSMgr_Water_ConstVol::getGibbs_RT_ref(), VPSSMgr_Water_ConstVol::getStandardVolumes_ref(), VPSSMgr::initThermoXML(), VPSSMgr::installSTSpecies(), VPSSMgr::operator=(), and VPSSMgr::refPressure().

doublereal m_minTemp

protected

minimum temperature for the standard state calculations

Definition at line 811 of file VPSSMgr.h.

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

doublereal m_maxTemp

protected

maximum temperature for the standard state calculations

Definition at line 814 of file VPSSMgr.h.

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

bool m_useTmpRefStateStorage

protected

boolean indicating whether temporary reference state storage is used -> default is false

Definition at line 820 of file VPSSMgr.h.

Referenced by VPSSMgr_General::_updateRefStateThermo(), VPSSMgr::getCp_R_ref(), VPSSMgr::getEnthalpy_RT_ref(), VPSSMgr::getEntropy_R_ref(), VPSSMgr_General::getGibbs_ref(), VPSSMgr::getGibbs_ref(), VPSSMgr_ConstVol::getGibbs_RT_ref(), VPSSMgr::getGibbs_RT_ref(), VPSSMgr::operator=(), VPSSMgr_General::returnPDSS_ptr(), VPSSMgr_ConstVol::VPSSMgr_ConstVol(), VPSSMgr_General::VPSSMgr_General(), VPSSMgr_IdealGas::VPSSMgr_IdealGas(), VPSSMgr_Water_ConstVol::VPSSMgr_Water_ConstVol(), and VPSSMgr_Water_HKFT::VPSSMgr_Water_HKFT().

vector_fp m_h0_RT

mutableprotected

Vector containing the species reference enthalpies at T = m_tlast and P = p_ref.

Definition at line 826 of file VPSSMgr.h.

Referenced by VPSSMgr_General::_updateRefStateThermo(), VPSSMgr_Water_ConstVol::_updateRefStateThermo(), VPSSMgr_Water_HKFT::_updateRefStateThermo(), VPSSMgr::_updateRefStateThermo(), VPSSMgr_ConstVol::_updateStandardStateThermo(), VPSSMgr_Water_ConstVol::_updateStandardStateThermo(), VPSSMgr_IdealGas::_updateStandardStateThermo(), VPSSMgr_Water_HKFT::getEnthalpy_RT_ref(), VPSSMgr_Water_ConstVol::getEnthalpy_RT_ref(), VPSSMgr::getEnthalpy_RT_ref(), VPSSMgr::initLengths(), and VPSSMgr::operator=().

vector_fp m_cp0_R

mutableprotected

Vector containing the species reference constant pressure heat capacities at T = m_tlast and P = p_ref.

Definition at line 832 of file VPSSMgr.h.

Referenced by VPSSMgr_General::_updateRefStateThermo(), VPSSMgr_Water_ConstVol::_updateRefStateThermo(), VPSSMgr_Water_HKFT::_updateRefStateThermo(), VPSSMgr::_updateRefStateThermo(), VPSSMgr_ConstVol::_updateStandardStateThermo(), VPSSMgr_Water_ConstVol::_updateStandardStateThermo(), VPSSMgr_IdealGas::_updateStandardStateThermo(), VPSSMgr_Water_HKFT::getCp_R_ref(), VPSSMgr_Water_ConstVol::getCp_R_ref(), VPSSMgr::getCp_R_ref(), VPSSMgr::initLengths(), and VPSSMgr::operator=().

vector_fp m_g0_RT

mutableprotected

Vector containing the species reference Gibbs functions at T = m_tlast and P = p_ref.

Definition at line 838 of file VPSSMgr.h.

Referenced by VPSSMgr_General::_updateRefStateThermo(), VPSSMgr_Water_ConstVol::_updateRefStateThermo(), VPSSMgr_Water_HKFT::_updateRefStateThermo(), VPSSMgr::_updateRefStateThermo(), VPSSMgr_General::getGibbs_ref(), VPSSMgr::getGibbs_ref(), VPSSMgr_Water_HKFT::getGibbs_RT_ref(), VPSSMgr_ConstVol::getGibbs_RT_ref(), VPSSMgr_Water_ConstVol::getGibbs_RT_ref(), VPSSMgr::getGibbs_RT_ref(), VPSSMgr::Gibbs_RT_ref(), VPSSMgr::initLengths(), and VPSSMgr::operator=().

vector_fp m_s0_R

mutableprotected

Vector containing the species reference entropies at T = m_tlast and P = p_ref.

Definition at line 844 of file VPSSMgr.h.

Referenced by VPSSMgr_General::_updateRefStateThermo(), VPSSMgr_Water_ConstVol::_updateRefStateThermo(), VPSSMgr_Water_HKFT::_updateRefStateThermo(), VPSSMgr::_updateRefStateThermo(), VPSSMgr_ConstVol::_updateStandardStateThermo(), VPSSMgr_Water_ConstVol::_updateStandardStateThermo(), VPSSMgr_IdealGas::_updateStandardStateThermo(), VPSSMgr_Water_HKFT::getEntropy_R_ref(), VPSSMgr_Water_ConstVol::getEntropy_R_ref(), VPSSMgr::getEntropy_R_ref(), VPSSMgr::initLengths(), and VPSSMgr::operator=().

vector_fp m_V0

mutableprotected

Vector containing the species reference molar volumes.

Definition at line 847 of file VPSSMgr.h.

Referenced by VPSSMgr_General::_updateRefStateThermo(), VPSSMgr_Water_ConstVol::_updateRefStateThermo(), VPSSMgr_Water_HKFT::_updateRefStateThermo(), VPSSMgr_Water_HKFT::getStandardVolumes_ref(), VPSSMgr_Water_ConstVol::getStandardVolumes_ref(), VPSSMgr::initLengths(), and VPSSMgr::operator=().

bool m_useTmpStandardStateStorage

protected

boolean indicating whether temporary standard state storage is used -> default is false

Definition at line 853 of file VPSSMgr.h.

Referenced by VPSSMgr::getCp_R(), VPSSMgr::getEnthalpy_RT(), VPSSMgr::getEntropy_R(), VPSSMgr::getGibbs_RT(), VPSSMgr::getIntEnergy_RT(), VPSSMgr::getStandardChemPotentials(), VPSSMgr::getStandardVolumes(), VPSSMgr_ConstVol::getStandardVolumes_ref(), VPSSMgr::operator=(), VPSSMgr_ConstVol::VPSSMgr_ConstVol(), VPSSMgr_General::VPSSMgr_General(), VPSSMgr_IdealGas::VPSSMgr_IdealGas(), VPSSMgr_Water_ConstVol::VPSSMgr_Water_ConstVol(), and VPSSMgr_Water_HKFT::VPSSMgr_Water_HKFT().

vector_fp m_hss_RT

mutableprotected

Vector containing the species Standard State enthalpies at T = m_tlast and P = m_plast.

Definition at line 859 of file VPSSMgr.h.

Referenced by VPSSMgr_Water_ConstVol::_updateRefStateThermo(), VPSSMgr_Water_HKFT::_updateRefStateThermo(), VPSSMgr_ConstVol::_updateStandardStateThermo(), VPSSMgr_Water_ConstVol::_updateStandardStateThermo(), VPSSMgr_General::_updateStandardStateThermo(), VPSSMgr_IdealGas::_updateStandardStateThermo(), VPSSMgr_Water_HKFT::_updateStandardStateThermo(), VPSSMgr::enthalpy_RT(), VPSSMgr::getEnthalpy_RT(), VPSSMgr_Water_ConstVol::getEnthalpy_RT_ref(), VPSSMgr::getIntEnergy_RT(), VPSSMgr::initLengths(), and VPSSMgr::operator=().

vector_fp m_cpss_R

mutableprotected

Vector containing the species Standard State constant pressure heat capacities at T = m_tlast and P = m_plast.

Definition at line 865 of file VPSSMgr.h.

Referenced by VPSSMgr_ConstVol::_updateStandardStateThermo(), VPSSMgr_Water_ConstVol::_updateStandardStateThermo(), VPSSMgr_General::_updateStandardStateThermo(), VPSSMgr_IdealGas::_updateStandardStateThermo(), VPSSMgr_Water_HKFT::_updateStandardStateThermo(), VPSSMgr::cp_R(), VPSSMgr::getCp_R(), VPSSMgr_Water_ConstVol::getCp_R_ref(), VPSSMgr::initLengths(), and VPSSMgr::operator=().

vector_fp m_gss_RT

mutableprotected

Vector containing the species Standard State Gibbs functions at T = m_tlast and P = m_plast.

Definition at line 871 of file VPSSMgr.h.

Referenced by VPSSMgr_ConstVol::_updateStandardStateThermo(), VPSSMgr_Water_ConstVol::_updateStandardStateThermo(), VPSSMgr_General::_updateStandardStateThermo(), VPSSMgr_IdealGas::_updateStandardStateThermo(), VPSSMgr_Water_HKFT::_updateStandardStateThermo(), VPSSMgr::getGibbs_RT(), VPSSMgr_Water_ConstVol::getGibbs_RT_ref(), VPSSMgr::getStandardChemPotentials(), VPSSMgr::initLengths(), and VPSSMgr::operator=().

vector_fp m_sss_R

mutableprotected

Vector containing the species Standard State entropies at T = m_tlast and P = m_plast.

Definition at line 877 of file VPSSMgr.h.

Referenced by VPSSMgr_Water_ConstVol::_updateRefStateThermo(), VPSSMgr_Water_HKFT::_updateRefStateThermo(), VPSSMgr_ConstVol::_updateStandardStateThermo(), VPSSMgr_Water_ConstVol::_updateStandardStateThermo(), VPSSMgr_General::_updateStandardStateThermo(), VPSSMgr_IdealGas::_updateStandardStateThermo(), VPSSMgr_Water_HKFT::_updateStandardStateThermo(), VPSSMgr::entropy_R(), VPSSMgr::getEntropy_R(), VPSSMgr_Water_ConstVol::getEntropy_R_ref(), VPSSMgr::initLengths(), and VPSSMgr::operator=().

vector_fp m_Vss

mutableprotected

Vector containing the species standard state volumes at T = m_tlast and P = m_plast.

Definition at line 883 of file VPSSMgr.h.

Referenced by VPSSMgr_ConstVol::_updateStandardStateThermo(), VPSSMgr_Water_ConstVol::_updateStandardStateThermo(), VPSSMgr_General::_updateStandardStateThermo(), VPSSMgr_IdealGas::_updateStandardStateThermo(), VPSSMgr_Water_HKFT::_updateStandardStateThermo(), VPSSMgr_IdealGas::createInstallPDSS(), VPSSMgr_ConstVol::createInstallPDSS(), VPSSMgr_Water_ConstVol::createInstallPDSS(), VPSSMgr::getIntEnergy_RT(), VPSSMgr_IdealGas::getStandardVolumes(), VPSSMgr::getStandardVolumes(), VPSSMgr_ConstVol::getStandardVolumes_ref(), VPSSMgr_Water_ConstVol::getStandardVolumes_ref(), VPSSMgr::initLengths(), VPSSMgr_ConstVol::initThermoXML(), VPSSMgr_Water_ConstVol::initThermoXML(), VPSSMgr_Water_HKFT::initThermoXML(), VPSSMgr::operator=(), and VPSSMgr::standardVolumes().

vector_fp mPDSS_h0_RT

mutableprotected

species reference enthalpies - used by individual PDSS objects

Vector containing the species reference enthalpies at T = m_tlast and P = p_ref.

Definition at line 891 of file VPSSMgr.h.

Referenced by VPSSMgr::initLengths(), PDSS::initPtrs(), and VPSSMgr::operator=().

vector_fp mPDSS_cp0_R

mutableprotected

species reference heat capacities - used by individual PDSS objects

Vector containing the species reference constant pressure heat capacities at T = m_tlast and P = p_ref.

Definition at line 898 of file VPSSMgr.h.

Referenced by VPSSMgr::initLengths(), PDSS::initPtrs(), and VPSSMgr::operator=().

vector_fp mPDSS_g0_RT

mutableprotected

species reference gibbs free energies - used by individual PDSS objects

Vector containing the species reference Gibbs functions at T = m_tlast and P = p_ref.

Definition at line 905 of file VPSSMgr.h.

Referenced by VPSSMgr::initLengths(), PDSS::initPtrs(), and VPSSMgr::operator=().

vector_fp mPDSS_s0_R

mutableprotected

species reference entropies - used by individual PDSS objects

Vector containing the species reference entropies at T = m_tlast and P = p_ref.

Definition at line 912 of file VPSSMgr.h.

Referenced by VPSSMgr::initLengths(), PDSS::initPtrs(), and VPSSMgr::operator=().

vector_fp mPDSS_V0

mutableprotected

species reference state molar Volumes - used by individual PDSS objects

Vector containing the rf molar volumes at T = m_tlast and P = p_ref.

Definition at line 920 of file VPSSMgr.h.

Referenced by VPSSMgr::initLengths(), PDSS::initPtrs(), and VPSSMgr::operator=().

vector_fp mPDSS_hss_RT

mutableprotected

species standard state enthalpies - used by individual PDSS objects

Vector containing the species standard state enthalpies at T = m_tlast and P = p_ref.

Definition at line 927 of file VPSSMgr.h.

Referenced by VPSSMgr::initLengths(), PDSS::initPtrs(), and VPSSMgr::operator=().

vector_fp mPDSS_cpss_R

mutableprotected

species standard state heat capacities - used by individual PDSS objects

Vector containing the species standard state constant pressure heat capacities at T = m_tlast and P = p_ref.

Definition at line 934 of file VPSSMgr.h.

Referenced by VPSSMgr::initLengths(), PDSS::initPtrs(), and VPSSMgr::operator=().

vector_fp mPDSS_gss_RT

mutableprotected

species standard state gibbs free energies - used by individual PDSS objects

Vector containing the species standard state Gibbs functions at T = m_tlast and P = p_ref.

Definition at line 941 of file VPSSMgr.h.

Referenced by VPSSMgr::initLengths(), PDSS::initPtrs(), and VPSSMgr::operator=().

vector_fp mPDSS_sss_R

mutableprotected

species standard state entropies - used by individual PDSS objects

Vector containing the species standard state entropies at T = m_tlast and P = p_ref.

Definition at line 948 of file VPSSMgr.h.

Referenced by VPSSMgr::initLengths(), PDSS::initPtrs(), and VPSSMgr::operator=().

vector_fp mPDSS_Vss

mutableprotected

species standard state molar Volumes - used by individual PDSS objects

Vector containing the ss molar volumes at T = m_tlast and P = p_ref.

Definition at line 955 of file VPSSMgr.h.

Referenced by VPSSMgr::initLengths(), PDSS::initPtrs(), and VPSSMgr::operator=().

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The documentation for this class was generated from the following files:

• VPSSMgr.h
• VPSSMgr.cpp