Constant Molar Volume e VPSS species thermo manager class. More...

#include <VPSSMgr_ConstVol.h>

Inheritance diagram for VPSSMgr_ConstVol:

Collaboration diagram for VPSSMgr_ConstVol:

Public Member Functions
	VPSSMgr_ConstVol (VPStandardStateTP vp_ptr, MultiSpeciesThermo spth)
	Constructor. More...

	VPSSMgr_ConstVol (const VPSSMgr_ConstVol &right)

VPSSMgr_ConstVol &	operator= (const VPSSMgr_ConstVol &right)

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

Initialization Methods - For Internal use
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 seen by application programs
virtual void	initThermoXML (XML_Node &phaseNode, const std::string &id)
	Finalize the thermo after all species have been entered. More...

virtual PDSS *	createInstallPDSS (size_t k, const XML_Node &speciesNode, const XML_Node *const phaseNode_ptr)
	Create and install a constant volume pressure dependent standard state for one species within this object. 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	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	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 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...

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

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 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...

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

Thermodynamic Values for the Species Reference States
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(). _updateRefStateThermo() is defined in the parent object.
virtual void	getGibbs_RT_ref (doublereal *grt) 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...

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

Constant Molar Volume e VPSS species thermo manager class.

The calculation of multiple-species thermodynamic property managers for variable temperature and pressure standard states assuming a constant partial molar volume assumption.

Definition at line 27 of file VPSSMgr_ConstVol.h.

Constructor & Destructor Documentation

◆ VPSSMgr_ConstVol()

VPSSMgr_ConstVol	(	VPStandardStateTP *	vp_ptr,
		MultiSpeciesThermo *	spth
	)

Constructor.

Parameters

vp_ptr	Pointer to the owning VPStandardStateTP object for the phase.
spth	Pointer to the MultiSpeciesThermo object for the phase.

Definition at line 23 of file VPSSMgr_ConstVol.cpp.

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

Referenced by VPSSMgr_ConstVol::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 47 of file VPSSMgr_ConstVol.cpp.

References VPSSMgr_ConstVol::VPSSMgr_ConstVol().

◆ _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 57 of file VPSSMgr_ConstVol.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_tlast, and VPSSMgr::m_Vss.

◆ getGibbs_RT_ref()

void getGibbs_RT_ref ( doublereal * grt ) const

protectedvirtual

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 from VPSSMgr.

Definition at line 70 of file VPSSMgr_ConstVol.cpp.

References VPSSMgr::m_g0_RT, and VPSSMgr::m_useTmpRefStateStorage.

◆ getStandardVolumes_ref()

void getStandardVolumes_ref ( doublereal * vol ) const

protectedvirtual

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 from VPSSMgr.

Definition at line 80 of file VPSSMgr_ConstVol.cpp.

References VPSSMgr::m_useTmpStandardStateStorage, and VPSSMgr::m_Vss.

◆ initThermoXML()

void initThermoXML	(	XML_Node &	phaseNode,
		const 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 from VPSSMgr.

Definition at line 90 of file VPSSMgr_ConstVol.cpp.

References XML_Node::attrib(), XML_Node::child(), XML_Node::findByAttr(), XML_Node::findByName(), Cantera::get_XML_NameID(), Cantera::getFloat(), VPSSMgr::initThermoXML(), VPSSMgr::m_kk, VPSSMgr::m_vptp_ptr, VPSSMgr::m_Vss, XML_Node::root(), and Phase::speciesName().

◆ createInstallPDSS()

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

virtual

Create and install a constant volume pressure dependent standard state 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 grabs the molar volume property and installs its value within this object.
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 117 of file VPSSMgr_ConstVol.cpp.

References XML_Node::attrib(), XML_Node::findByName(), Cantera::getFloat(), VPSSMgr::installSTSpecies(), VPSSMgr::m_vptp_ptr, and VPSSMgr::m_Vss.

◆ 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 140 of file VPSSMgr_ConstVol.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 147 of file VPSSMgr_ConstVol.cpp.

References Cantera::cVPSSMGR_CONSTVOL, 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_ConstVol()

Member Function Documentation

◆ duplMyselfAsVPSSMgr()

◆ _updateStandardStateThermo()

◆ getGibbs_RT_ref()

◆ getStandardVolumes_ref()

◆ initThermoXML()

◆ createInstallPDSS()

◆ reportPDSSType()

◆ reportVPSSMgrType()