A VPSSMgr where all species in the phase obey an ideal gas equation of state. More...

#include <VPSSMgr_IdealGas.h>

Inheritance diagram for VPSSMgr_IdealGas:

Collaboration diagram for VPSSMgr_IdealGas:

Public Member Functions
	VPSSMgr_IdealGas (VPStandardStateTP vp_ptr, MultiSpeciesThermo spth)
	Basic constructor that initializes the object. More...

	VPSSMgr_IdealGas (const VPSSMgr_IdealGas &right)

VPSSMgr_IdealGas &	operator= (const VPSSMgr_IdealGas &right)

virtual VPSSMgr *	duplMyselfAsVPSSMgr () const
	Duplication routine for objects which derive from VPSSMgr. More...

virtual PDSS *	createInstallPDSS (size_t k, const XML_Node &speciesNode, const XML_Node *const phaseNode_ptr)
	Create and install an ideal gas standard state manager for one species within this object. More...

virtual PDSS_enumType	reportPDSSType (int index=-1) const
	This utility function reports the type of parameterization used for the species with index number index. More...

virtual VPSSMgr_enumType	reportVPSSMgrType () const
	This utility function reports the type of manager for the calculation of ss properties. More...

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	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. More...

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. More...

Public Member Functions inherited from VPSSMgr
	VPSSMgr (VPStandardStateTP vptp_ptr, MultiSpeciesThermo spth=0)
	Constructor. More...

	VPSSMgr (const VPSSMgr &right)

VPSSMgr &	operator= (const VPSSMgr &right)

virtual void	getStandardChemPotentials (doublereal *mu) const
	Get the array of chemical potentials at unit activity. More...

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. More...

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. More...

const vector_fp &	enthalpy_RT () const
	Return a reference to a vector of the molar enthalpies of the species in their standard states. More...

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. More...

const vector_fp &	entropy_R () const
	Return a reference to a vector of the entropies of the species. More...

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. More...

const vector_fp &	cp_R () const
	Return a reference to a vector of the constant pressure heat capacities of the species. More...

virtual const vector_fp &	getStandardVolumes () const

const vector_fp &	standardVolumes () const
	Return a reference to a vector of the species standard molar volumes. More...

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. More...

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. More...

virtual doublereal	minTemp (size_t k=npos) const
	Minimum temperature. More...

virtual doublereal	maxTemp (size_t k=npos) const
	Maximum temperature. More...

virtual doublereal	refPressure (size_t k=npos) const
	The reference-state pressure for the standard state. More...

virtual void	initThermo ()

void	initLengths ()
	Initialize the lengths within the object. More...

virtual void	initThermoXML (XML_Node &phaseNode, const std::string &id)
	Finalize the thermo after all species have been entered. More...

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. More...

virtual void	initAllPtrs (VPStandardStateTP vp_ptr, MultiSpeciesThermo sp_ptr)
	Initialize the internal shallow pointers in this object. More...

virtual void	setState_TP (doublereal T, doublereal P)
	Set the temperature (K) and pressure (Pa) More...

virtual void	setState_T (doublereal T)
	Set the temperature (K) More...

virtual void	setState_P (doublereal P)
	Set the pressure (Pa) More...

doublereal	temperature () const
	Return the temperature stored in the object. More...

doublereal	pressure () const
	Return the pressure stored in the object. More...

MultiSpeciesThermo *	SpeciesThermoMgr ()
	Return the pointer to the reference-state Thermo calculator MultiSpeciesThermo object. More...

virtual void	updateStandardStateThermo ()
	Updates the internal standard state thermodynamic vectors at the current T and P of the solution. More...

virtual void	updateRefStateThermo () const
	Updates the internal reference state thermodynamic vectors at the current T of the solution and the reference pressure. More...

Protected Member Functions
virtual void	_updateStandardStateThermo ()
	Updates the standard state thermodynamic functions at the current T and P of the solution. More...

Protected Member Functions inherited from VPSSMgr
virtual void	_updateRefStateThermo () const
	Updates the reference state thermodynamic functions at the current T of the solution and the reference pressure. More...

Additional Inherited Members
Protected Attributes inherited from VPSSMgr
size_t	m_kk
	Number of species in the phase. More...

VPStandardStateTP *	m_vptp_ptr
	Variable pressure ThermoPhase object. More...

MultiSpeciesThermo *	m_spthermo
	Pointer to reference state thermo calculator. More...

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

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

doublereal	m_p0
	Reference pressure (Pa) must be the same for all species - defaults to 1 atm. More...

doublereal	m_minTemp
	minimum temperature for the standard state calculations More...

doublereal	m_maxTemp
	maximum temperature for the standard state calculations More...

bool	m_useTmpRefStateStorage
	boolean indicating whether temporary reference state storage is used -> default is false More...

vector_fp	m_h0_RT
	Vector containing the species reference enthalpies at T = m_tlast and P = p_ref. More...

vector_fp	m_cp0_R
	Vector containing the species reference constant pressure heat capacities at T = m_tlast and P = p_ref. More...

vector_fp	m_g0_RT
	Vector containing the species reference Gibbs functions at T = m_tlast and P = p_ref. More...

vector_fp	m_s0_R
	Vector containing the species reference entropies at T = m_tlast and P = p_ref. More...

vector_fp	m_V0
	Vector containing the species reference molar volumes. More...

bool	m_useTmpStandardStateStorage
	boolean indicating whether temporary standard state storage is used -> default is false More...

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

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

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

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

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

vector_fp	mPDSS_h0_RT
	species reference enthalpies - used by individual PDSS objects More...

vector_fp	mPDSS_cp0_R
	species reference heat capacities - used by individual PDSS objects More...

vector_fp	mPDSS_g0_RT
	species reference Gibbs free energies - used by individual PDSS objects More...

vector_fp	mPDSS_s0_R
	species reference entropies - used by individual PDSS objects More...

vector_fp	mPDSS_V0
	species reference state molar Volumes - used by individual PDSS objects More...

vector_fp	mPDSS_hss_RT
	species standard state enthalpies - used by individual PDSS objects More...

vector_fp	mPDSS_cpss_R
	species standard state heat capacities - used by individual PDSS objects More...

vector_fp	mPDSS_gss_RT
	species standard state Gibbs free energies - used by individual PDSS objects More...

vector_fp	mPDSS_sss_R
	species standard state entropies - used by individual PDSS objects More...

vector_fp	mPDSS_Vss
	species standard state molar Volumes - used by individual PDSS objects More...

Detailed Description

A VPSSMgr where all species in the phase obey an ideal gas equation of state.

Attention: This class currently does not have any test cases or examples. Its implementation may be incomplete, and future changes to Cantera may unexpectedly cause this class to stop working. If you use this class, please consider contributing examples or test cases. In the absence of new tests or examples, this class may be deprecated and removed in a future version of Cantera. See https://github.com/Cantera/cantera/issues/267 for additional information.

Definition at line 30 of file VPSSMgr_IdealGas.h.

Constructor & Destructor Documentation

◆ VPSSMgr_IdealGas()

VPSSMgr_IdealGas	(	VPStandardStateTP *	vp_ptr,
		MultiSpeciesThermo *	spth
	)

Basic constructor that initializes the object.

Parameters

vp_ptr	Pointer to the owning ThermoPhase
spth	Species thermo pointer.

Definition at line 24 of file VPSSMgr_IdealGas.cpp.

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

Referenced by VPSSMgr_IdealGas::duplMyselfAsVPSSMgr().

Member Function Documentation

◆ duplMyselfAsVPSSMgr()

VPSSMgr * duplMyselfAsVPSSMgr ( ) const

virtual

Duplication routine for objects which derive from VPSSMgr.

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

Deprecated:: To be removed after Cantera 2.3 for all classes derived from VPSSMgr.

Reimplemented from VPSSMgr.

Definition at line 48 of file VPSSMgr_IdealGas.cpp.

References VPSSMgr_IdealGas::VPSSMgr_IdealGas().

◆ getIntEnergy_RT()

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 from VPSSMgr.

Definition at line 53 of file VPSSMgr_IdealGas.cpp.

References VPSSMgr::getEnthalpy_RT(), and VPSSMgr::m_kk.

◆ getStandardVolumes()

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 from VPSSMgr.

Definition at line 61 of file VPSSMgr_IdealGas.cpp.

References VPSSMgr::m_Vss.

◆ _updateStandardStateThermo()

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, the base class implementation 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 from VPSSMgr.

Definition at line 66 of file VPSSMgr_IdealGas.cpp.

References Cantera::GasConstant, VPSSMgr::m_cp0_R, VPSSMgr::m_cpss_R, VPSSMgr::m_gss_RT, VPSSMgr::m_h0_RT, VPSSMgr::m_hss_RT, VPSSMgr::m_kk, VPSSMgr::m_p0, VPSSMgr::m_plast, VPSSMgr::m_s0_R, VPSSMgr::m_sss_R, VPSSMgr::m_Vss, and VPSSMgr::temperature().

◆ createInstallPDSS()

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

virtual

Create and install an ideal gas standard state manager for one species within this object.

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

It registers the species with the MultiSpeciesThermo object for the containing VPStandardStateTP phase.
It also creates a PDSS object, which basically contains a duplication of some of this information and returns a pointer to the new object.

Parameters

k	Species index within the phase
speciesNode	Reference to the species node in the XML tree
phaseNode_ptr	Pointer to the phase node in the XML tree

Returns: a pointer to the a newly created PDSS object containing the parameterization

Reimplemented from VPSSMgr.

Definition at line 80 of file VPSSMgr_IdealGas.cpp.

References XML_Node::attrib(), XML_Node::child(), XML_Node::findByName(), MultiSpeciesThermo::install_STIT(), VPSSMgr::m_p0, VPSSMgr::m_spthermo, VPSSMgr::m_vptp_ptr, VPSSMgr::m_Vss, Cantera::newSpeciesThermoInterpType(), and MultiSpeciesThermo::refPressure().

◆ reportPDSSType()

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

Deprecated:: To be removed after Cantera 2.3.

Reimplemented from VPSSMgr.

Definition at line 105 of file VPSSMgr_IdealGas.cpp.

References Cantera::warn_deprecated().

◆ reportVPSSMgrType()

VPSSMgr_enumType reportVPSSMgrType ( ) const

virtual

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

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

Deprecated:: Unused. To be removed after Cantera 2.3.

Reimplemented from VPSSMgr.

Definition at line 112 of file VPSSMgr_IdealGas.cpp.

References Cantera::cVPSSMGR_IDEALGAS, and Cantera::warn_deprecated().

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

Public Member Functions

Protected Member Functions

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ VPSSMgr_IdealGas()

Member Function Documentation

◆ duplMyselfAsVPSSMgr()

◆ getIntEnergy_RT()

◆ getStandardVolumes()

◆ _updateStandardStateThermo()

◆ createInstallPDSS()

◆ reportPDSSType()

◆ reportVPSSMgrType()