VPSSMgr_General Class Reference
[Managers for Calculating Standard-State Thermodynamics]

Class that handles the calculation of standard state thermo properties for a set of species belonging to a single phase in a completely general but slow way. More...

#include <VPSSMgr_General.h>

Inheritance diagram for VPSSMgr_General:

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Collaboration diagram for VPSSMgr_General:

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List of all members.

Public Member Functions
	VPSSMgr_General (VPStandardStateTP vp_ptr, SpeciesThermo spth)
	Constructor.
virtual	~VPSSMgr_General ()
	Destructor.
	VPSSMgr_General (const VPSSMgr_General &right)
	Copy Constructor for the SpeciesThermo object.
VPSSMgr_General &	operator= (const VPSSMgr_General &right)
	Assignment operator for the SpeciesThermo object.
virtual VPSSMgr *	duplMyselfAsVPSSMgr () const
	Duplication routine for objects which inherit from VPSSSpeciesThermo.
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	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.
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 temperatue storred in the object.
doublereal	pressure () const
	Return the pressure storred 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.
Utility Methods - Reports on various quantities

virtual doublereal	minTemp (int k=-1) const
	Minimum temperature.
virtual doublereal	maxTemp (int k=-1) const
	Maximum temperature.
virtual doublereal	refPressure (int k=-1) const
	The reference-state pressure for the standard state.
Protected Member Functions
Properties of the Standard State of the Species in the Solution
Within VPStandardStateTP, these properties are calculated via a common routine, _updateStandardStateThermo(), which must be overloaded in inherited objects. The values are cached within this object, and are not recalculated unless the temperature or pressure changes.
virtual void	_updateStandardStateThermo ()
	Internally 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.
Thermodynamic Values for the Species Reference States (VPStandardStateTP)

virtual void	getGibbs_ref (doublereal *g) const
Initialization Methods - For Internal use (VPStandardState)

std::vector< PDSS * >	m_PDSS_ptrs
	Shallow pointers containing the PDSS objects for the species in this phase.
virtual PDSS *	createInstallPDSS (int k, const XML_Node &speciesNode, const XML_Node *const phaseNode_ptr)
	Factory routine for the creation of PDSS objects that are then internally registered with this VPSSMgr object.
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 the standard state properties.
virtual void	initAllPtrs (VPStandardStateTP vp_ptr, SpeciesThermo sp_ptr)
	Initialize the internal shallow pointers in this object.
virtual void	initThermo ()
virtual void	initThermoXML (XML_Node &phaseNode, std::string id)
	Finalize the thermo objects after all species have been entered.
PDSS *	returnPDSS_ptr (int k, const XML_Node &speciesNode, const XML_Node *const phaseNode_ptr, bool &doST)
	Local factory routine for the creation of PDSS objects.
doublereal	err (std::string msg) const
	VPStandardStateTP has its own err routine.
Initialization Methods - For Internal use (VPStandardState)

void	initLengths ()
	Initialize the lengths within the object.
void	installSTSpecies (int k, const XML_Node &speciesNode, const XML_Node *phaseNode_ptr)
	Install specific content for species k in the reference-state thermodynamic SpeciesManager object.
int	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 referenc 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

Detailed Description

Class that handles the calculation of standard state thermo properties for a set of species belonging to a single phase in a completely general but slow way.

This class manages the calculation of standard state thermo properties for a set of species belonging to a single phase in a completely general but slow way. The way this does this is to call the underlying PDSS routines one at a time for every species.

Definition at line 45 of file VPSSMgr_General.h.

Constructor & Destructor Documentation

VPSSMgr_General	(	VPStandardStateTP *	vp_ptr,
		SpeciesThermo *	spth
	)

Constructor.

Parameters:

	vp_ptr	Pointer to the owning VPStandardStateTP object for the phase. It's a requirement that this be already malloced.
	spth	Pointer to the SpeciesThermo object for the phase. It's a requirement that this be already malloced.

Definition at line 43 of file VPSSMgr_General.cpp.

References VPSSMgr::m_useTmpRefStateStorage, and VPSSMgr::m_useTmpStandardStateStorage.

Referenced by VPSSMgr_General::duplMyselfAsVPSSMgr().

~VPSSMgr_General ( ) [virtual]

Destructor.

Definition at line 55 of file VPSSMgr_General.cpp.

VPSSMgr_General ( const VPSSMgr_General & right )

Copy Constructor for the SpeciesThermo object.

Parameters:

right

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

Definition at line 59 of file VPSSMgr_General.cpp.

References VPSSMgr::m_useTmpRefStateStorage, and VPSSMgr::m_useTmpStandardStateStorage.

Member Function Documentation

void _updateRefStateThermo ( ) const [protected, virtual]

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 from VPSSMgr.

Definition at line 113 of file VPSSMgr_General.cpp.

References PDSS::cp_R_ref(), PDSS::enthalpy_RT_ref(), PDSS::entropy_R_ref(), VPSSMgr::m_cp0_R, VPSSMgr::m_g0_RT, VPSSMgr::m_h0_RT, VPSSMgr::m_kk, VPSSMgr_General::m_PDSS_ptrs, VPSSMgr::m_plast, VPSSMgr::m_s0_R, VPSSMgr::m_tlast, VPSSMgr::m_useTmpRefStateStorage, VPSSMgr::m_V0, PDSS::molarVolume_ref(), and PDSS::setState_TP().

void _updateStandardStateThermo ( ) [protected, virtual]

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

For internal use only.

If m_useTmpStandardStateStorage is true, this function must be called whenever the temperature or pressure has changed.

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 every time information is requested from this object.

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

Reimplemented from VPSSMgr.

Definition at line 128 of file VPSSMgr_General.cpp.

References PDSS::cp_R(), PDSS::enthalpy_RT(), PDSS::entropy_R(), VPSSMgr::m_cpss_R, VPSSMgr::m_gss_RT, VPSSMgr::m_hss_RT, VPSSMgr::m_kk, VPSSMgr_General::m_PDSS_ptrs, VPSSMgr::m_plast, VPSSMgr::m_sss_R, VPSSMgr::m_tlast, VPSSMgr::m_Vss, PDSS::molarVolume(), and PDSS::setState_TP().

const vector_fp& cp_R ( ) const [inline, inherited]

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

Definition at line 402 of file VPSSMgr.h.

References VPSSMgr::m_cpss_R.

Referenced by IdealSolnGasVPSS::cp_mole().

PDSS * createInstallPDSS	(	int	k,
		const XML_Node &	speciesNode,
		const XML_Node *const	phaseNode_ptr
	)			`[virtual]`

Factory routine for the creation of PDSS objects that are then internally registered with this VPSSMgr object.

This function sets up the internal data within this object for handling the calculation of the standard state for the species.

This routine will create a PDSS object for species k, by searching and querying for the "standardState" XML node in the standard state description of the species. It will then store the object's pointer in a vector of pointers, and it will own the object.

Parameters:

	k	Species number
	speciesNode	XML node for the standard state of the species
	phaseNode_ptr	pointer to the phase XML node

Returns:: Returns the pointer to the malloced PDSS object

Reimplemented from VPSSMgr.

Definition at line 243 of file VPSSMgr_General.cpp.

References VPSSMgr::m_kk, VPSSMgr::m_maxTemp, VPSSMgr::m_minTemp, VPSSMgr::m_p0, VPSSMgr_General::m_PDSS_ptrs, PDSS::maxTemp(), VPSSMgr::maxTemp(), PDSS::minTemp(), VPSSMgr::minTemp(), PDSS::refPressure(), and VPSSMgr_General::returnPDSS_ptr().

VPSSMgr * duplMyselfAsVPSSMgr ( ) const [virtual]

Duplication routine for objects which inherit from VPSSSpeciesThermo.

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

Reimplemented from VPSSMgr.

Definition at line 86 of file VPSSMgr_General.cpp.

References VPSSMgr_General::VPSSMgr_General().

const vector_fp& enthalpy_RT ( ) const [inline, inherited]

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

Definition at line 349 of file VPSSMgr.h.

References VPSSMgr::m_hss_RT.

Referenced by IdealSolnGasVPSS::enthalpy_mole().

const vector_fp& entropy_R ( ) const [inline, inherited]

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

Definition at line 365 of file VPSSMgr.h.

References VPSSMgr::m_sss_R.

Referenced by IdealSolnGasVPSS::entropy_mole().

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

VPStandardStateTP has its own err routine.

Parameters:

msg

Error message string

Reimplemented from VPSSMgr.

void getCp_R ( doublereal * cpr ) const [virtual, inherited]

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 216 of file VPSSMgr.cpp.

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

Referenced by VPStandardStateTP::getCp_R().

void getCp_R_ref ( doublereal * cpr ) const [virtual, inherited]

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 273 of file VPSSMgr.cpp.

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

Referenced by VPStandardStateTP::getCp_R_ref().

void getEnthalpy_RT ( doublereal * hrt ) const [virtual, inherited]

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 185 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().

void getEnthalpy_RT_ref ( doublereal * hrt ) const [virtual, inherited]

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 getEntropy_R ( doublereal * sr ) const [virtual, inherited]

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 194 of file VPSSMgr.cpp.

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

Referenced by VPStandardStateTP::getEntropy_R().

void getEntropy_R_ref ( doublereal * er ) const [virtual, inherited]

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 264 of file VPSSMgr.cpp.

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

Referenced by VPStandardStateTP::getEntropy_R_ref().

void getGibbs_ref ( doublereal * g ) const [protected, 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 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.

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 from VPSSMgr.

Definition at line 156 of file VPSSMgr_General.cpp.

References PDSS::enthalpy_RT_ref(), PDSS::entropy_R_ref(), Cantera::GasConstant, VPSSMgr::m_g0_RT, VPSSMgr::m_kk, VPSSMgr_General::m_PDSS_ptrs, VPSSMgr::m_plast, VPSSMgr::m_tlast, VPSSMgr::m_useTmpRefStateStorage, Cantera::scale(), and PDSS::setState_TP().

void getGibbs_RT ( doublereal * grt ) const [virtual, inherited]

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 176 of file VPSSMgr.cpp.

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

Referenced by VPStandardStateTP::getGibbs_RT().

void getGibbs_RT_ref ( doublereal * grt ) const [virtual, inherited]

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_ConstVol, VPSSMgr_Water_ConstVol, and VPSSMgr_Water_HKFT.

Definition at line 244 of file VPSSMgr.cpp.

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

Referenced by VPStandardStateTP::getGibbs_RT_ref().

void getIntEnergy_RT ( doublereal * urt ) const [virtual, inherited]

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 203 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 getStandardChemPotentials ( doublereal * mu ) const [virtual, inherited]

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 165 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 getStandardVolumes ( doublereal * vol ) const [virtual, inherited]

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 225 of file VPSSMgr.cpp.

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

Referenced by VPStandardStateTP::getStandardVolumes().

void getStandardVolumes_ref ( doublereal * vol ) const [virtual, inherited]

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_ConstVol, VPSSMgr_Water_ConstVol, and VPSSMgr_Water_HKFT.

Definition at line 282 of file VPSSMgr.cpp.

References VPSSMgr::err().

Referenced by VPStandardStateTP::getStandardVolumes_ref().

const vector_fp& Gibbs_RT_ref ( ) const [inline, inherited]

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

Definition at line 464 of file VPSSMgr.h.

References VPSSMgr::m_g0_RT.

Referenced by IdealSolnGasVPSS::setToEquilState().

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	Poitner to the SpeciesThermo standard state

Reimplemented from VPSSMgr.

Definition at line 100 of file VPSSMgr_General.cpp.

References VPSSMgr::m_kk, VPSSMgr_General::m_PDSS_ptrs, and VPSSMgr::m_vptp_ptr.

void initLengths ( ) [inherited]

Initialize the lengths within the object.

Note this function is not virtual

Definition at line 349 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 Constituents::nSpecies().

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

void initThermo ( ) [protected, 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.

For internal use only.

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 from VPSSMgr.

Definition at line 142 of file VPSSMgr_General.cpp.

References VPSSMgr::initLengths().

void initThermoXML	(	XML_Node &	phaseNode,
		std::string	id
	)			`[protected, virtual]`

Finalize the thermo objects 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.

Currently, this routine passed control to the parent class without doing anything.

Parameters:

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

Reimplemented from VPSSMgr.

Definition at line 173 of file VPSSMgr_General.cpp.

void installSTSpecies	(	int	k,
		const XML_Node &	speciesNode,
		const XML_Node *	phaseNode_ptr
	)			`[inherited]`

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 422 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_Water_ConstVol::createInstallPDSS(), VPSSMgr_ConstVol::createInstallPDSS(), and VPSSMgr_General::returnPDSS_ptr().

doublereal maxTemp ( int k = -1 ) const [virtual, inherited]

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 448 of file VPSSMgr.cpp.

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

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

doublereal minTemp ( int k = -1 ) const [virtual, inherited]

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 440 of file VPSSMgr.cpp.

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

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

VPSSMgr_General & operator= ( const VPSSMgr_General & 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 67 of file VPSSMgr_General.cpp.

References VPSSMgr::m_kk, VPSSMgr_General::m_PDSS_ptrs, and VPSSMgr::m_vptp_ptr.

doublereal pressure ( ) const [inline, inherited]

Return the pressure storred in the object.

Definition at line 562 of file VPSSMgr.h.

References VPSSMgr::m_plast.

doublereal refPressure ( int k = -1 ) const [virtual, inherited]

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 456 of file VPSSMgr.cpp.

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

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

PDSS_enumType reportPDSSType ( int index = -1 ) const [virtual]

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

Parameters:

index

Species index

Reimplemented from VPSSMgr.

Definition at line 273 of file VPSSMgr_General.cpp.

References VPSSMgr_General::m_PDSS_ptrs, and PDSS::reportPDSSType().

VPSSMgr_enumType reportVPSSMgrType ( ) const [virtual]

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

Reimplemented from VPSSMgr.

Definition at line 279 of file VPSSMgr_General.cpp.

PDSS * returnPDSS_ptr	(	int	k,
		const XML_Node &	speciesNode,
		const XML_Node *const	phaseNode_ptr,
		bool &	doST
	)			`[private]`

Local factory routine for the creation of PDSS objects.

This routine is specific to the VPSSMgr_General object. It will create a PDSS object for species k, by searching and querying for the "standardState" XML node in the standard state description of the species. If this XML node doesn't exist, it will assume that the standard state is an ideal gas. It decides on the attribute, "model", what PDSS object to create.

Parameters:

	k	Species number
	speciesNode	XML node for the standard state of the species
	phaseNode_ptr	pointer to the phase XML node
	doST	output variable indicating whether the instantiation has resulted in a SpeciesThermo object being created and registered with the SpeciesThermo manager class.

Returns:: Returns the pointer to a malloced PDSS object

Definition at line 178 of file VPSSMgr_General.cpp.

References XML_Node::findByName(), GeneralSpeciesThermo::installPDSShandler(), VPSSMgr::installSTSpecies(), VPSSMgr::m_spthermo, VPSSMgr::m_useTmpRefStateStorage, and VPSSMgr::m_vptp_ptr.

Referenced by VPSSMgr_General::createInstallPDSS().

void setState_P ( doublereal P ) [virtual, inherited]

Set the pressure (Pa).

Parameters:

P

Pressure (Pa)

Reimplemented in VPSSMgr_Water_HKFT.

Definition at line 288 of file VPSSMgr.cpp.

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

void setState_T ( doublereal T ) [virtual, inherited]

Set the temperature (K).

Parameters:

T

Temperature (K)

Reimplemented in VPSSMgr_Water_HKFT.

Definition at line 295 of file VPSSMgr.cpp.

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

void setState_TP	(	doublereal	T,
		doublereal	P
	)			`[virtual, inherited]`

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

These routine in turn call the following underlying virtual functions

An important point to note is that inbetween 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 303 of file VPSSMgr.cpp.

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

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

SpeciesThermo* SpeciesThermoMgr ( ) [inline, inherited]

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

Definition at line 568 of file VPSSMgr.h.

References VPSSMgr::m_spthermo.

const vector_fp& standardVolumes ( ) const [inline, inherited]

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

Definition at line 422 of file VPSSMgr.h.

References VPSSMgr::m_Vss.

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

doublereal temperature ( ) const [inline, inherited]

Return the temperatue storred in the object.

Definition at line 557 of file VPSSMgr.h.

References VPSSMgr::m_tlast.

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

void updateRefStateThermo ( ) const [virtual, inherited]

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 319 of file VPSSMgr.cpp.

References VPSSMgr::_updateRefStateThermo().

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

void updateStandardStateThermo ( ) [virtual, inherited]

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 315 of file VPSSMgr.cpp.

References VPSSMgr::_updateStandardStateThermo().

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