Class for the thermodynamic manager for an individual species' reference state which uses the PDSS base class to satisfy the requests. More...

#include <SpeciesThermoInterpType.h>

Inheritance diagram for STITbyPDSS:

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Collaboration diagram for STITbyPDSS:

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Public Member Functions
	STITbyPDSS ()
	Constructor. More...

	STITbyPDSS (VPSSMgr vpssmgr_ptr, PDSS PDSS_ptr)
	Main Constructor. More...

	STITbyPDSS (const STITbyPDSS &b)

virtual SpeciesThermoInterpType *	duplMyselfAsSpeciesThermoInterpType () const

void	initAllPtrs (size_t speciesIndex, VPSSMgr vpssmgr_ptr, PDSS PDSS_ptr)
	Initialize and/or Reinitialize all the pointers for this object. More...

virtual doublereal	minTemp () const
	Returns the minimum temperature that the thermo parameterization is valid. More...

virtual doublereal	maxTemp () const
	Returns the maximum temperature that the thermo parameterization is valid. More...

virtual doublereal	refPressure () const
	Returns the reference pressure (Pa) More...

virtual int	reportType () const
	Returns an integer representing the type of parameterization. More...

virtual void	updateProperties (const doublereal tempPoly, doublereal cp_R, doublereal h_RT, doublereal s_R) const
	Update the properties for this species, given a temperature polynomial. More...

virtual void	updatePropertiesTemp (const doublereal temp, doublereal cp_R, doublereal h_RT, doublereal *s_R) const
	Compute the reference-state property of one species. More...

virtual void	reportParameters (size_t &index, int &type, doublereal &minTemp, doublereal &maxTemp, doublereal &refPressure, doublereal *const coeffs) const
	This utility function reports back the type of parameterization and all of the parameters for the species. More...

virtual void	modifyParameters (doublereal *coeffs)

Public Member Functions inherited from SpeciesThermoInterpType
	SpeciesThermoInterpType (double tlow, double thigh, double pref)

	SpeciesThermoInterpType (const SpeciesThermoInterpType &b)

SpeciesThermoInterpType &	operator= (const SpeciesThermoInterpType &b)

virtual void	validate (const std::string &name)
	Check for problems with the parameterization, and generate warnings or throw and exception if any are found. More...

virtual size_t	temperaturePolySize () const
	Number of terms in the temperature polynomial for this parameterization. More...

virtual void	updateTemperaturePoly (double T, double *T_poly) const
	Given the temperature T, compute the terms of the temperature polynomial T_poly. More...

virtual doublereal	reportHf298 (doublereal *const h298=0) const
	Report the 298 K Heat of Formation of the standard state of one species (J kmol-1) More...

virtual void	modifyOneHf298 (const size_t k, const doublereal Hf298New)
	Modify the value of the 298 K Heat of Formation of one species in the phase (J kmol-1) More...

virtual void	resetHf298 ()
	Restore the original heat of formation for this species. More...

Private Attributes
VPSSMgr *	m_vpssmgr_ptr
	Pointer to the Variable pressure standard state manager that owns the PDSS object that will handle calls for this object. More...

PDSS *	m_PDSS_ptr
	Pointer to the PDSS object that handles calls for this object. More...

Additional Inherited Members
Protected Attributes inherited from SpeciesThermoInterpType
doublereal	m_lowT
	lowest valid temperature More...

doublereal	m_highT
	Highest valid temperature. More...

doublereal	m_Pref
	Reference state pressure. More...

Detailed Description

Class for the thermodynamic manager for an individual species' reference state which uses the PDSS base class to satisfy the requests.

This class is a pass-through class for handling thermodynamics calls for reference state thermo to an pressure dependent standard state (PDSS) class. For some situations, it makes no sense to have a reference state at all. One example of this is the real water standard state.

What this class does is just to pass through the calls for thermo at (T, p0) to the PDSS class, which evaluates the calls at (T, p0).

Definition at line 299 of file SpeciesThermoInterpType.h.

Constructor & Destructor Documentation

◆ STITbyPDSS() [1/2]

STITbyPDSS ( )

Constructor.

Deprecated:: Default constructor to be removed after Cantera 2.3.

Definition at line 74 of file SpeciesThermoInterpType.cpp.

References Cantera::warn_deprecated().

Referenced by STITbyPDSS::duplMyselfAsSpeciesThermoInterpType().

◆ STITbyPDSS() [2/2]

STITbyPDSS	(	VPSSMgr *	vpssmgr_ptr,
		PDSS *	PDSS_ptr
	)

Main Constructor.

Parameters

vpssmgr_ptr	Pointer to the Variable pressure standard state manager that owns the PDSS object that will handle calls for this object
PDSS_ptr	Pointer to the PDSS object that handles calls for this object

Definition at line 80 of file SpeciesThermoInterpType.cpp.

Member Function Documentation

◆ duplMyselfAsSpeciesThermoInterpType()

SpeciesThermoInterpType * duplMyselfAsSpeciesThermoInterpType ( ) const

virtual

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

Implements SpeciesThermoInterpType.

Definition at line 94 of file SpeciesThermoInterpType.cpp.

References STITbyPDSS::STITbyPDSS().

◆ initAllPtrs()

void initAllPtrs	(	size_t	speciesIndex,
		VPSSMgr *	vpssmgr_ptr,
		PDSS *	PDSS_ptr
	)

Initialize and/or Reinitialize all the pointers for this object.

This routine is needed because the STITbyPDSS object doesn't own the underlying objects. Therefore, shallow copies during duplication operations may fail.

Parameters

speciesIndex	species index for this object. Note, this must agree with what was internally set before.
vpssmgr_ptr	Pointer to the Variable pressure standard state manager that owns the PDSS object that will handle calls for this object
PDSS_ptr	Pointer to the PDSS object that handles calls for this object

Definition at line 99 of file SpeciesThermoInterpType.cpp.

References STITbyPDSS::m_PDSS_ptr, and STITbyPDSS::m_vpssmgr_ptr.

Referenced by VPSSMgr::initAllPtrs().

◆ minTemp()

doublereal minTemp ( ) const

virtual

Returns the minimum temperature that the thermo parameterization is valid.

Reimplemented from SpeciesThermoInterpType.

Definition at line 106 of file SpeciesThermoInterpType.cpp.

References STITbyPDSS::m_PDSS_ptr, and PDSS::minTemp().

◆ maxTemp()

doublereal maxTemp ( ) const

virtual

Returns the maximum temperature that the thermo parameterization is valid.

Reimplemented from SpeciesThermoInterpType.

Definition at line 111 of file SpeciesThermoInterpType.cpp.

References STITbyPDSS::m_PDSS_ptr, and PDSS::maxTemp().

◆ refPressure()

doublereal refPressure ( ) const

virtual

Returns the reference pressure (Pa)

Reimplemented from SpeciesThermoInterpType.

Definition at line 116 of file SpeciesThermoInterpType.cpp.

References STITbyPDSS::m_PDSS_ptr, and PDSS::refPressure().

◆ reportType()

int reportType ( ) const

virtual

Returns an integer representing the type of parameterization.

Implements SpeciesThermoInterpType.

Definition at line 121 of file SpeciesThermoInterpType.cpp.

References PDSS_TYPE.

◆ updateProperties()

void updateProperties	(	const doublereal *	tt,
		doublereal *	cp_R,
		doublereal *	h_RT,
		doublereal *	s_R
	)		const

virtual

Update the properties for this species, given a temperature polynomial.

This method is called with a pointer to an array containing the functions of temperature needed by this parameterization, and three pointers to arrays where the computed property values should be written. This method updates only one value in each array.

The form and length of the Temperature Polynomial may vary depending on the parameterization.

Parameters

tt	vector of evaluated temperature functions
cp_R	Vector of Dimensionless heat capacities. (length m_kk).
h_RT	Vector of Dimensionless enthalpies. (length m_kk).
s_R	Vector of Dimensionless entropies. (length m_kk).

Reimplemented from SpeciesThermoInterpType.

Definition at line 126 of file SpeciesThermoInterpType.cpp.

◆ updatePropertiesTemp()

void updatePropertiesTemp	(	const doublereal	temp,
		doublereal *	cp_R,
		doublereal *	h_RT,
		doublereal *	s_R
	)		const

virtual

Compute the reference-state property of one species.

Given temperature T in K, this method updates the values of the non- dimensional heat capacity at constant pressure, enthalpy, and entropy, at the reference pressure, of the species.

Parameters

temp	Temperature (Kelvin)
cp_R	Vector of Dimensionless heat capacities. (length m_kk).
h_RT	Vector of Dimensionless enthalpies. (length m_kk).
s_R	Vector of Dimensionless entropies. (length m_kk).

Implements SpeciesThermoInterpType.

Definition at line 134 of file SpeciesThermoInterpType.cpp.

References PDSS::cp_R_ref(), PDSS::enthalpy_RT_ref(), PDSS::entropy_R_ref(), STITbyPDSS::m_PDSS_ptr, and PDSS::setTemperature().

◆ reportParameters()

void reportParameters	(	size_t &	index,
		int &	type,
		doublereal &	minTemp,
		doublereal &	maxTemp,
		doublereal &	refPressure,
		doublereal *const	coeffs
	)		const

virtual

This utility function reports back the type of parameterization and all of the parameters for the species.

All parameters are output variables

Parameters

index	Species index
type	Integer type of the standard type
minTemp	output - Minimum temperature
maxTemp	output - Maximum temperature
refPressure	output - reference pressure (Pa).
coeffs	Vector of coefficients used to set the parameters for the standard state.