The NASA polynomial parameterization for one temperature range. More...

#include <NasaPoly1.h>

Inheritance diagram for NasaPoly1:

Collaboration diagram for NasaPoly1:

Public Member Functions
	NasaPoly1 ()
	Empty constructor. More...

	NasaPoly1 (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...

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 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...

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 &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...

Protected Attributes
vector_fp	m_coeff
	array of polynomial coefficients, stored in the order [a0, ..., a6] More...

double	m_coeff5_orig

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

The NASA polynomial parameterization for one temperature range.

This parameterization expresses the heat capacity as a fourth-order polynomial. Note that this is the form used in the 1971 NASA equilibrium program and by the Chemkin software package, but differs from the form used in the more recent NASA equilibrium program.

Seven coefficients \((a_0,\dots,a_6)\) are used to represent \( c_p^0(T)\), \( h^0(T)\), and \( s^0(T) \) as polynomials in \( T \) :

\[ \frac{c_p(T)}{R} = a_0 + a_1 T + a_2 T^2 + a_3 T^3 + a_4 T^4 \]

\[ \frac{h^0(T)}{RT} = a_0 + \frac{a_1}{2} T + \frac{a_2}{3} T^2 + \frac{a_3}{4} T^3 + \frac{a_4}{5} T^4 + \frac{a_5}{T}. \]

\[ \frac{s^0(T)}{R} = a_0\ln T + a_1 T + \frac{a_2}{2} T^2 + \frac{a_3}{3} T^3 + \frac{a_4}{4} T^4 + a_6. \]

Definition at line 45 of file NasaPoly1.h.

Constructor & Destructor Documentation

◆ NasaPoly1() [1/2]

NasaPoly1 ( )

inline

Empty constructor.

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

Definition at line 50 of file NasaPoly1.h.

References Cantera::warn_deprecated().

Referenced by NasaPoly1::duplMyselfAsSpeciesThermoInterpType().

◆ NasaPoly1() [2/2]

NasaPoly1	(	double	tlow,
		double	thigh,
		double	pref,
		const double *	coeffs
	)

inline

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, in the order [a0,a1,a2,a3,a4,a5,a6]

Definition at line 64 of file NasaPoly1.h.

References NasaPoly1::m_coeff.

Member Function Documentation

◆ duplMyselfAsSpeciesThermoInterpType()

virtual SpeciesThermoInterpType* duplMyselfAsSpeciesThermoInterpType ( ) const

inlinevirtual

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

Implements SpeciesThermoInterpType.

Definition at line 72 of file NasaPoly1.h.

References NasaPoly1::NasaPoly1().

◆ reportType()

virtual int reportType ( ) const

inlinevirtual

Returns an integer representing the type of parameterization.

Implements SpeciesThermoInterpType.

Definition at line 76 of file NasaPoly1.h.

References NASA1.

◆ temperaturePolySize()

virtual size_t temperaturePolySize ( ) const

inlinevirtual

Number of terms in the temperature polynomial for this parameterization.

Reimplemented from SpeciesThermoInterpType.

Definition at line 80 of file NasaPoly1.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 from SpeciesThermoInterpType.

Definition at line 82 of file NasaPoly1.h.

Referenced by NasaPoly1::reportHf298(), and NasaPoly1::updatePropertiesTemp().

◆ updateProperties()

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

inlinevirtual

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).

Temperature Polynomial: tt[0] = t; tt[1] = t*t; tt[2] = m_t[1]*t; tt[3] = m_t[2]*t; tt[4] = 1.0/t; tt[5] = std::log(t);

Reimplemented from SpeciesThermoInterpType.

Definition at line 102 of file NasaPoly1.h.

References NasaPoly1::m_coeff.

Referenced by NasaPoly2::updateProperties(), and NasaPoly1::updatePropertiesTemp().

◆ updatePropertiesTemp()

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

inlinevirtual

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 123 of file NasaPoly1.h.

References NasaPoly1::updateProperties(), and NasaPoly1::updateTemperaturePoly().

Referenced by NasaPoly2::updatePropertiesTemp(), and NasaPoly2::validate().

◆ reportParameters()

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

inlinevirtual

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 131 of file NasaPoly1.h.

◆ modifyParameters()

virtual void modifyParameters ( doublereal * coeffs )

inlinevirtual

Deprecated:: To be removed after Cantera 2.3.

Use MultiSpeciesThermo::modifySpecies instead.

Reimplemented from SpeciesThermoInterpType.

Definition at line 145 of file NasaPoly1.h.

References NasaPoly1::m_coeff, and Cantera::warn_deprecated().

◆ reportHf298()

virtual doublereal reportHf298 ( doublereal *const h298 = 0 ) const

inlinevirtual

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 151 of file NasaPoly1.h.

References Cantera::GasConstant, NasaPoly1::m_coeff, and NasaPoly1::updateTemperaturePoly().

Referenced by NasaPoly2::modifyOneHf298(), NasaPoly1::modifyOneHf298(), and NasaPoly2::reportHf298().

◆ modifyOneHf298()

virtual void modifyOneHf298	(	const size_t	k,
		const doublereal	Hf298New
	)

inlinevirtual

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