A constant-heat capacity species thermodynamic property manager class. More...

#include <ConstCpPoly.h>

Inheritance diagram for ConstCpPoly:

Collaboration diagram for ConstCpPoly:

Public Member Functions
	ConstCpPoly ()
	empty constructor More...

	ConstCpPoly (double tlow, double thigh, double pref, const double *coeffs)
	Normal constructor. More...

virtual SpeciesThermoInterpType *	duplMyselfAsSpeciesThermoInterpType () const

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

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

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

void	reportParameters (size_t &n, int &type, doublereal &tlow, doublereal &thigh, doublereal &pref, 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)

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...

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

	SpeciesThermoInterpType (const SpeciesThermoInterpType &b)

SpeciesThermoInterpType &	operator= (const SpeciesThermoInterpType &b)

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 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...

Protected Attributes
doublereal	m_t0
	Base temperature. More...

doublereal	m_cp0_R
	Dimensionless value of the heat capacity. More...

doublereal	m_h0_R
	dimensionless value of the enthaply at t0 More...

doublereal	m_s0_R
	Dimensionless value of the entropy at t0. More...

doublereal	m_logt0
	log of the t0 value More...

double	m_h0_R_orig
	Original value of h0_R, restored by calling resetHf298() More...

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

A constant-heat capacity species thermodynamic property manager class.

This makes the assumption that the heat capacity is a constant. Then, the following relations are used to complete the specification of the thermodynamic functions for the species.

\[ \frac{c_p(T)}{R} = Cp0\_R \]

\[ \frac{h^0(T)}{RT} = \frac{1}{T} * (h0\_R + (T - T_0) * Cp0\_R) \]

\[ \frac{s^0(T)}{R} = (s0\_R + (log(T) - log(T_0)) * Cp0\_R) \]

This parameterization takes 4 input values. These are:

c[0] = \( T_0 \)(Kelvin)
c[1] = \( H_k^o(T_0, p_{ref}) \) (J/kmol)
c[2] = \( S_k^o(T_0, p_{ref}) \) (J/kmol K)
c[3] = \( {Cp}_k^o(T_0, p_{ref}) \) (J(kmol K)

Definition at line 43 of file ConstCpPoly.h.

Constructor & Destructor Documentation

◆ ConstCpPoly() [1/2]

ConstCpPoly ( )

empty constructor

Deprecated:: To be removed after Cantera 2.3.

Definition at line 15 of file ConstCpPoly.cpp.

References Cantera::warn_deprecated().

Referenced by ConstCpPoly::duplMyselfAsSpeciesThermoInterpType().

◆ ConstCpPoly() [2/2]

ConstCpPoly	(	double	tlow,
		double	thigh,
		double	pref,
		const double *	coeffs
	)

Normal constructor.

Parameters

tlow	Minimum temperature
thigh	Maximum temperature
pref	reference pressure (Pa).
coeffs	Vector of coefficients used to set the parameters for the standard state for species n. There are 4 coefficients for the ConstCpPoly parameterization. c[0] = \( T_0 \)(Kelvin) c[1] = \( H_k^o(T_0, p_{ref}) \) (J/kmol) c[2] = \( S_k^o(T_0, p_{ref}) \) (J/kmol K) c[3] = \( {Cp}_k^o(T_0, p_{ref}) \) (J(kmol K)

Definition at line 26 of file ConstCpPoly.cpp.

References Cantera::GasConstant, ConstCpPoly::m_cp0_R, ConstCpPoly::m_h0_R, ConstCpPoly::m_h0_R_orig, ConstCpPoly::m_logt0, ConstCpPoly::m_s0_R, and ConstCpPoly::m_t0.

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 39 of file ConstCpPoly.cpp.

References ConstCpPoly::ConstCpPoly().

◆ reportType()

virtual int reportType ( ) const

inlinevirtual

Returns an integer representing the type of parameterization.

Implements SpeciesThermoInterpType.

Definition at line 68 of file ConstCpPoly.h.

References CONSTANT_CP.

◆ 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).

Form and Length of the temperature polynomial:

m_t[0] = tt;

Reimplemented from SpeciesThermoInterpType.

Definition at line 44 of file ConstCpPoly.cpp.

References ConstCpPoly::m_cp0_R, ConstCpPoly::m_h0_R, ConstCpPoly::m_logt0, ConstCpPoly::m_s0_R, and ConstCpPoly::m_t0.

◆ 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 57 of file ConstCpPoly.cpp.

References ConstCpPoly::m_cp0_R, ConstCpPoly::m_h0_R, ConstCpPoly::m_logt0, ConstCpPoly::m_s0_R, and ConstCpPoly::m_t0.

◆ 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.

Implements SpeciesThermoInterpType.

Definition at line 69 of file ConstCpPoly.cpp.

◆ modifyParameters()

void modifyParameters ( doublereal * coeffs )

virtual

Deprecated:: To be removed after Cantera 2.3.

Use MultiSpeciesThermo::modifySpecies instead.

Reimplemented from SpeciesThermoInterpType.

Definition at line 85 of file ConstCpPoly.cpp.

References Cantera::GasConstant, ConstCpPoly::m_cp0_R, ConstCpPoly::m_h0_R, ConstCpPoly::m_logt0, ConstCpPoly::m_s0_R, ConstCpPoly::m_t0, and Cantera::warn_deprecated().

◆ reportHf298()

doublereal reportHf298 ( doublereal *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 from SpeciesThermoInterpType.

Definition at line 96 of file ConstCpPoly.cpp.

References Cantera::GasConstant, ConstCpPoly::m_cp0_R, ConstCpPoly::m_h0_R, and ConstCpPoly::m_t0.

Referenced by ConstCpPoly::modifyOneHf298().

◆ modifyOneHf298()

void modifyOneHf298	(	const size_t	k,
		const doublereal	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 from SpeciesThermoInterpType.

Definition at line 106 of file ConstCpPoly.cpp.

References Cantera::GasConstant, ConstCpPoly::m_h0_R, and ConstCpPoly::reportHf298().

◆ resetHf298()

void resetHf298 ( )

virtual

Restore the original heat of formation for this species.

Resets changes made by modifyOneHf298().

Reimplemented from SpeciesThermoInterpType.

Definition at line 113 of file ConstCpPoly.cpp.

References ConstCpPoly::m_h0_R, and ConstCpPoly::m_h0_R_orig.

Member Data Documentation

◆ m_t0

doublereal m_t0

protected

Base temperature.

Definition at line 101 of file ConstCpPoly.h.

Referenced by ConstCpPoly::ConstCpPoly(), ConstCpPoly::modifyParameters(), ConstCpPoly::reportHf298(), ConstCpPoly::updateProperties(), and ConstCpPoly::updatePropertiesTemp().

◆ m_cp0_R

doublereal m_cp0_R

protected

Dimensionless value of the heat capacity.

Definition at line 103 of file ConstCpPoly.h.

Referenced by ConstCpPoly::ConstCpPoly(), ConstCpPoly::modifyParameters(), ConstCpPoly::reportHf298(), ConstCpPoly::updateProperties(), and ConstCpPoly::updatePropertiesTemp().

◆ m_h0_R

doublereal m_h0_R

protected

dimensionless value of the enthaply at t0

Definition at line 105 of file ConstCpPoly.h.

Referenced by ConstCpPoly::ConstCpPoly(), ConstCpPoly::modifyOneHf298(), ConstCpPoly::modifyParameters(), ConstCpPoly::reportHf298(), ConstCpPoly::resetHf298(), ConstCpPoly::updateProperties(), and ConstCpPoly::updatePropertiesTemp().

◆ m_s0_R

doublereal m_s0_R

protected

Dimensionless value of the entropy at t0.

Definition at line 107 of file ConstCpPoly.h.

Referenced by ConstCpPoly::ConstCpPoly(), ConstCpPoly::modifyParameters(), ConstCpPoly::updateProperties(), and ConstCpPoly::updatePropertiesTemp().

◆ m_logt0

doublereal m_logt0

protected

log of the t0 value

Definition at line 109 of file ConstCpPoly.h.

Referenced by ConstCpPoly::ConstCpPoly(), ConstCpPoly::modifyParameters(), ConstCpPoly::updateProperties(), and ConstCpPoly::updatePropertiesTemp().

◆ m_h0_R_orig

double m_h0_R_orig

protected

Original value of h0_R, restored by calling resetHf298()

Definition at line 111 of file ConstCpPoly.h.

Referenced by ConstCpPoly::ConstCpPoly(), and ConstCpPoly::resetHf298().

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

Public Member Functions

Protected Attributes

Detailed Description

Constructor & Destructor Documentation

◆ ConstCpPoly() [1/2]

◆ ConstCpPoly() [2/2]

Member Function Documentation

◆ duplMyselfAsSpeciesThermoInterpType()

◆ reportType()

◆ updateProperties()

◆ updatePropertiesTemp()

◆ reportParameters()

◆ modifyParameters()

◆ reportHf298()

◆ modifyOneHf298()

◆ resetHf298()

Member Data Documentation

◆ m_t0

◆ m_cp0_R

◆ m_h0_R

◆ m_s0_R

◆ m_logt0

◆ m_h0_R_orig