The NASA 9 polynomial parameterization for one temperature range. More...

#include <Nasa9Poly1.h>

Inheritance diagram for Nasa9Poly1:

Collaboration diagram for Nasa9Poly1:

Public Member Functions
	Nasa9Poly1 ()
	Empty constructor. More...

	Nasa9Poly1 (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)

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 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...

Protected Attributes
vector_fp	m_coeff
	array of polynomial coefficients 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

The NASA 9 polynomial parameterization for one temperature range.

This parameterization expresses the heat capacity via a 7 coefficient polynomial. Note that this is the form used in the 2002 NASA equilibrium program. A reference to the form is provided below:

"NASA Glenn Coefficients for Calculating Thermodynamic Properties of Individual Species," B. J. McBride, M. J. Zehe, S. Gordon NASA/TP-2002-211556, Sept. 2002

Nine coefficients \((a_0,\dots,a_8)\) are used to represent \( C_p^0(T)\), \( H^0(T)\), and \( S^0(T) \) as polynomials in \( T \) :

\[ \frac{C_p^0(T)}{R} = a_0 T^{-2} + a_1 T^{-1} + a_2 + a_3 T + a_4 T^2 + a_5 T^3 + a_6 T^4 \]

\[ \frac{H^0(T)}{RT} = - a_0 T^{-2} + a_1 \frac{\ln T}{T} + a_2 + \frac{a_3}{2} T + \frac{a_4}{3} T^2 + \frac{a_5}{4} T^3 + \frac{a_6}{5} T^4 + \frac{a_7}{T} \]

\[ \frac{s^0(T)}{R} = - \frac{a_0}{2} T^{-2} - a_1 T^{-1} + a_2 \ln T + a_3 T + \frac{a_4}{2} T^2 + \frac{a_5}{3} T^3 + \frac{a_6}{4} T^4 + a_8 \]

The standard state is assumed to be an ideal gas at the standard pressure of 1 bar, for gases. For condensed species, the standard state is the pure crystalline or liquid substance at the standard pressure of 1 atm.

These NASA representations may have multiple temperature regions through the use of the Nasa9PolyMultiTempRegion object, which uses multiple copies of this Nasa9Poly1 object to handle multiple temperature regions.

See also: Nasa9PolyMultiTempRegion

Definition at line 61 of file Nasa9Poly1.h.

Constructor & Destructor Documentation

◆ Nasa9Poly1() [1/2]

Nasa9Poly1 ( )

Empty constructor.

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

Definition at line 19 of file Nasa9Poly1.cpp.

References SpeciesThermoInterpType::m_Pref, and Cantera::warn_deprecated().

Referenced by Nasa9Poly1::duplMyselfAsSpeciesThermoInterpType().

◆ Nasa9Poly1() [2/2]

Nasa9Poly1	(	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.

Definition at line 27 of file Nasa9Poly1.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 34 of file Nasa9Poly1.cpp.

References Nasa9Poly1::Nasa9Poly1().

◆ reportType()

int reportType ( ) const

virtual

Returns an integer representing the type of parameterization.

Implements SpeciesThermoInterpType.

Definition at line 39 of file Nasa9Poly1.cpp.

References NASA9.

◆ temperaturePolySize()

virtual size_t temperaturePolySize ( ) const

inlinevirtual

Number of terms in the temperature polynomial for this parameterization.

Reimplemented from SpeciesThermoInterpType.

Definition at line 83 of file Nasa9Poly1.h.

◆ updateTemperaturePoly()

void updateTemperaturePoly	(	double	T,
		double *	T_poly
	)		const

virtual

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

Reimplemented from SpeciesThermoInterpType.

Definition at line 44 of file Nasa9Poly1.cpp.

Referenced by Nasa9Poly1::updatePropertiesTemp().

◆ 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).

Temperature Polynomial:

tt[0] = t;
tt[1] = t*t;
tt[2] = t*t*t;
tt[3] = t*t*t*t;
tt[4] = 1.0/t;
tt[5] = 1.0/(t*t);
tt[6] = std::log(t);

Reimplemented from SpeciesThermoInterpType.

Definition at line 55 of file Nasa9Poly1.cpp.

References Nasa9Poly1::m_coeff.

Referenced by Nasa9Poly1::updatePropertiesTemp().

◆ 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 80 of file Nasa9Poly1.cpp.

References Nasa9Poly1::updateProperties(), and Nasa9Poly1::updateTemperaturePoly().

◆ reportParameters()

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

n	Species index
type	Integer type of the standard type
tlow	output - Minimum temperature
thigh	output - Maximum temperature
pref	output - reference pressure (Pa).
coeffs	Vector of coefficients used to set the parameters for the standard state. There are 12 of them, designed to be compatible with the multiple temperature formulation. coeffs[0] is equal to one. coeffs[1] is min temperature coeffs[2] is max temperature coeffs[3+i] from i =0,9 are the coefficients themselves