Abstract Base class for the thermodynamic manager for an individual species' reference state. More...

#include <SpeciesThermoInterpType.h>

Inheritance diagram for SpeciesThermoInterpType:

Detailed Description

Abstract Base class for the thermodynamic manager for an individual species' reference state.

One key feature is that the update routines use the same form as the update routines in the MultiSpeciesThermo class. They update values of cp_R, s_R, and H_R.

Definition at line 112 of file SpeciesThermoInterpType.h.

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

	SpeciesThermoInterpType (const SpeciesThermoInterpType &b)=delete

SpeciesThermoInterpType &	operator= (const SpeciesThermoInterpType &b)=delete

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

virtual void	setMinTemp (double Tmin)
	Set the minimum temperature at which the thermo parameterization is valid.

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

virtual void	setMaxTemp (double Tmax)
	Set the maximum temperature at which the thermo parameterization is valid.

virtual double	refPressure () const
	Returns the reference pressure (Pa)

virtual void	setRefPressure (double Pref)
	Set the reference pressure [Pa].

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

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

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

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

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

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

virtual size_t	nCoeffs () const
	This utility function returns the number of coefficients for a given type of species parameterization.

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

AnyMap	parameters (bool withInput=true) const
	Return the parameters of the species thermo object such that an identical species thermo object could be reconstructed using the newSpeciesThermo() function.

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

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

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

const AnyMap &	input () const
	Access input data associated with the species thermo definition.

AnyMap &	input ()

Protected Member Functions
virtual void	getParameters (AnyMap &thermo) const
	Store the parameters of the species thermo object such that an identical species thermo object could be reconstructed using the newSpeciesThermo() function.

Protected Attributes
double	m_lowT = 0.0
	lowest valid temperature

double	m_highT = 0.0
	Highest valid temperature.

double	m_Pref = 0.0
	Reference state pressure.

AnyMap	m_input

Constructor & Destructor Documentation

◆ SpeciesThermoInterpType()

SpeciesThermoInterpType	(	double	tlow,
		double	thigh,
		double	pref
	)

Definition at line 14 of file SpeciesThermoInterpType.cpp.

Member Function Documentation

◆ minTemp()

virtual double minTemp ( ) const

inlinevirtual

Returns the minimum temperature that the thermo parameterization is valid.

Definition at line 127 of file SpeciesThermoInterpType.h.

◆ setMinTemp()

virtual void setMinTemp ( double Tmin )

inlinevirtual

Set the minimum temperature at which the thermo parameterization is valid.

Reimplemented in NasaPoly2, and ShomatePoly2.

Definition at line 132 of file SpeciesThermoInterpType.h.

◆ maxTemp()

virtual double maxTemp ( ) const

inlinevirtual

Returns the maximum temperature that the thermo parameterization is valid.

Definition at line 138 of file SpeciesThermoInterpType.h.

◆ setMaxTemp()

virtual void setMaxTemp ( double Tmax )

inlinevirtual

Set the maximum temperature at which the thermo parameterization is valid.

Reimplemented in NasaPoly2, and ShomatePoly2.

Definition at line 143 of file SpeciesThermoInterpType.h.

◆ refPressure()

virtual double refPressure ( ) const

inlinevirtual

Returns the reference pressure (Pa)

Definition at line 148 of file SpeciesThermoInterpType.h.

◆ setRefPressure()

virtual void setRefPressure ( double Pref )

inlinevirtual

Set the reference pressure [Pa].

Reimplemented in NasaPoly2, and ShomatePoly2.

Definition at line 153 of file SpeciesThermoInterpType.h.

◆ validate()

virtual void validate ( const string & name )

inlinevirtual

Check for problems with the parameterization, and generate warnings or throw and exception if any are found.

Reimplemented in NasaPoly2.

Definition at line 159 of file SpeciesThermoInterpType.h.

◆ reportType()

virtual int reportType ( ) const

inlinevirtual

Returns an integer representing the type of parameterization.

Reimplemented in ConstCpPoly, Mu0Poly, Nasa9Poly1, Nasa9PolyMultiTempRegion, NasaPoly1, NasaPoly2, ShomatePoly, and ShomatePoly2.

Definition at line 162 of file SpeciesThermoInterpType.h.

◆ temperaturePolySize()

virtual size_t temperaturePolySize ( ) const

inlinevirtual

Number of terms in the temperature polynomial for this parameterization.

Reimplemented in Nasa9Poly1, Nasa9PolyMultiTempRegion, NasaPoly1, NasaPoly2, ShomatePoly, and ShomatePoly2.

Definition at line 165 of file SpeciesThermoInterpType.h.

◆ updateTemperaturePoly()

virtual void updateTemperaturePoly	(	double	T,
		double *	T_poly
	)		const

inlinevirtual

Given the temperature T, compute the terms of the temperature polynomial T_poly.

Reimplemented in Nasa9Poly1, Nasa9PolyMultiTempRegion, NasaPoly1, NasaPoly2, ShomatePoly, and ShomatePoly2.

Definition at line 169 of file SpeciesThermoInterpType.h.

◆ updateProperties()

void updateProperties	(	const double *	tt,
		double *	cp_R,
		double *	h_RT,
		double *	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 in ConstCpPoly, Mu0Poly, Nasa9Poly1, Nasa9PolyMultiTempRegion, NasaPoly1, NasaPoly2, ShomatePoly, and ShomatePoly2.

Definition at line 23 of file SpeciesThermoInterpType.cpp.

◆ updatePropertiesTemp()

void updatePropertiesTemp	(	const double	temp,
		double *	cp_R,
		double *	h_RT,
		double *	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).

Reimplemented in ConstCpPoly, Mu0Poly, Nasa9Poly1, Nasa9PolyMultiTempRegion, NasaPoly1, NasaPoly2, ShomatePoly, and ShomatePoly2.

Definition at line 30 of file SpeciesThermoInterpType.cpp.

◆ nCoeffs()

size_t nCoeffs ( ) const

virtual

This utility function returns the number of coefficients for a given type of species parameterization.

Reimplemented in ConstCpPoly, Mu0Poly, Nasa9PolyMultiTempRegion, NasaPoly2, and ShomatePoly2.

Definition at line 36 of file SpeciesThermoInterpType.cpp.

◆ reportParameters()

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

virtual

This utility function returns 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.

Reimplemented in ConstCpPoly, Mu0Poly, Nasa9Poly1, Nasa9PolyMultiTempRegion, NasaPoly1, NasaPoly2, ShomatePoly, and ShomatePoly2.

Definition at line 41 of file SpeciesThermoInterpType.cpp.

◆ parameters()

AnyMap parameters ( bool withInput = true ) const

Return the parameters of the species thermo object such that an identical species thermo object could be reconstructed using the newSpeciesThermo() function.

Behavior specific to derived classes is handled by the getParameters() method.

Parameters

withInput If true, include additional input data fields associated with the object, such as user-defined fields from a YAML input file, as returned by the input() method.

Definition at line 48 of file SpeciesThermoInterpType.cpp.

◆ reportHf298()

double reportHf298 ( double *const h298 = 0 ) const

virtual

Report the 298 K Heat of Formation of the standard state of one species (J kmol-1)

The 298K Heat of Formation is defined as the enthalpy change to create the standard state of the species from its constituent elements in their standard states at 298 K and 1 bar.

Parameters

h298	If this is nonnull, the current value of the Heat of Formation at 298K and 1 bar for species m_speciesIndex is returned in h298[m_speciesIndex].

Returns: the current value of the Heat of Formation at 298K and 1 bar for species m_speciesIndex.

Reimplemented in ConstCpPoly, NasaPoly1, NasaPoly2, ShomatePoly, and ShomatePoly2.

Definition at line 65 of file SpeciesThermoInterpType.cpp.

◆ modifyOneHf298()

void modifyOneHf298	(	const size_t	k,
		const double	Hf298New
	)

virtual

Modify the value of the 298 K Heat of Formation of one species in the phase (J kmol-1)

The 298K heat of formation is defined as the enthalpy change to create the standard state of the species from its constituent elements in their standard states at 298 K and 1 bar.

Parameters

k	Species k
Hf298New	Specify the new value of the Heat of Formation at 298K and 1 bar

Reimplemented in ConstCpPoly, NasaPoly1, NasaPoly2, ShomatePoly, and ShomatePoly2.

Definition at line 70 of file SpeciesThermoInterpType.cpp.

◆ resetHf298()

virtual void resetHf298 ( )

inlinevirtual

Restore the original heat of formation for this species.

Resets changes made by modifyOneHf298().

Reimplemented in ConstCpPoly, NasaPoly1, NasaPoly2, ShomatePoly, and ShomatePoly2.

Definition at line 269 of file SpeciesThermoInterpType.h.

◆ input() [1/2]

const AnyMap & input ( ) const

Access input data associated with the species thermo definition.

Definition at line 75 of file SpeciesThermoInterpType.cpp.

◆ input() [2/2]

AnyMap & input ( )

Definition at line 80 of file SpeciesThermoInterpType.cpp.

◆ getParameters()

void getParameters ( AnyMap & thermo ) const

protectedvirtual

Store the parameters of the species thermo object such that an identical species thermo object could be reconstructed using the newSpeciesThermo() function.

Reimplemented in ConstCpPoly, Mu0Poly, Nasa9Poly1, Nasa9PolyMultiTempRegion, NasaPoly1, NasaPoly2, ShomatePoly, and ShomatePoly2.

Definition at line 58 of file SpeciesThermoInterpType.cpp.

Member Data Documentation

◆ m_lowT

double m_lowT = 0.0

protected

lowest valid temperature

Definition at line 284 of file SpeciesThermoInterpType.h.

◆ m_highT

double m_highT = 0.0

protected

Highest valid temperature.

Definition at line 286 of file SpeciesThermoInterpType.h.

◆ m_Pref

double m_Pref = 0.0

protected

Reference state pressure.

Definition at line 288 of file SpeciesThermoInterpType.h.

◆ m_input

AnyMap m_input

protected

Definition at line 290 of file SpeciesThermoInterpType.h.

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

Detailed Description

Public Member Functions

Protected Member Functions

Protected Attributes

Constructor & Destructor Documentation

◆ SpeciesThermoInterpType()

Member Function Documentation

◆ minTemp()

◆ setMinTemp()

◆ maxTemp()

◆ setMaxTemp()

◆ refPressure()

◆ setRefPressure()

◆ validate()

◆ reportType()

◆ temperaturePolySize()

◆ updateTemperaturePoly()

◆ updateProperties()

◆ updatePropertiesTemp()

◆ nCoeffs()

◆ reportParameters()

◆ parameters()

◆ reportHf298()

◆ modifyOneHf298()

◆ resetHf298()

◆ input() [1/2]

◆ input() [2/2]

◆ getParameters()

Member Data Documentation

◆ m_lowT

◆ m_highT

◆ m_Pref

◆ m_input