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 (size_t n, doublereal tlow, doublereal thigh, doublereal pref, const doublereal *coeffs)
	constructor used in templated instantiations More...

	NasaPoly1 (double tlow, double thigh, double pref, const double *coeffs)
	Normal constructor. More...

	NasaPoly1 (const NasaPoly1 &b)
	copy constructor More...

NasaPoly1 &	operator= (const NasaPoly1 &b)
	assignment operator 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, index. More...

virtual void	modifyParameters (doublereal *coeffs)
	Modify parameters for the standard state. 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...

Public Member Functions inherited from SpeciesThermoInterpType
	SpeciesThermoInterpType (size_t n, doublereal tlow, doublereal thigh, doublereal pref)

	SpeciesThermoInterpType (double tlow, double thigh, double pref)

	SpeciesThermoInterpType (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	speciesIndex () const
	Returns an integer representing the species index. More...

virtual void	setIndex (size_t index)

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

size_t	m_index
	species index 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 \( T \) :

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

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

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

This class is designed specifically for use by class NasaThermo.

Definition at line 46 of file NasaPoly1.h.

Constructor & Destructor Documentation

NasaPoly1 ( )

inline

Empty constructor.

Definition at line 50 of file NasaPoly1.h.

NasaPoly1	(	size_t	n,
		doublereal	tlow,
		doublereal	thigh,
		doublereal	pref,
		const doublereal *	coeffs
	)

inline

constructor used in templated instantiations

Parameters

n	Species index
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 [a5,a6,a0,a1,a2,a3,a4]

Deprecated:: Use the constructor which does not take species index. To be removed after Cantera 2.2.

Definition at line 64 of file NasaPoly1.h.

References NasaPoly1::m_coeff.

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 84 of file NasaPoly1.h.

NasaPoly1 ( const NasaPoly1 & b )

inline

copy constructor

Parameters

b	object to be copied

Definition at line 94 of file NasaPoly1.h.

Member Function Documentation

NasaPoly1& operator= ( const NasaPoly1 & b )

inline

assignment operator

Parameters

b	object to be copied

Definition at line 104 of file NasaPoly1.h.

References NasaPoly1::m_coeff.

virtual int reportType ( ) const

inlinevirtual

Returns an integer representing the type of parameterization.

Implements SpeciesThermoInterpType.

Definition at line 118 of file NasaPoly1.h.

References NASA1.

virtual size_t temperaturePolySize ( ) const

inlinevirtual

Number of terms in the temperature polynomial for this parameterization.

Reimplemented from SpeciesThermoInterpType.

Definition at line 122 of file NasaPoly1.h.

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 124 of file NasaPoly1.h.

Referenced by NasaPoly1::reportHf298(), NasaPoly1::updatePropertiesTemp(), and NasaPoly2::updateTemperaturePoly().

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.

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);

Parameters

tt	vector of temperature polynomials
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 153 of file NasaPoly1.h.

References NasaPoly1::m_coeff, and SpeciesThermoInterpType::m_index.

Referenced by NasaThermo::update_one(), NasaPoly2::updateProperties(), and NasaPoly1::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, Pref of one of the species. The species index is used to reference into the cp_R, h_RT, and s_R arrays.

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 177 of file NasaPoly1.h.

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

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

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, index.

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 185 of file NasaPoly1.h.

References NasaPoly1::m_coeff, SpeciesThermoInterpType::m_highT, SpeciesThermoInterpType::m_index, SpeciesThermoInterpType::m_lowT, SpeciesThermoInterpType::m_Pref, and NASA1.

Referenced by NasaThermo::reportParams().

virtual void modifyParameters ( doublereal * coeffs )

inlinevirtual

Modify parameters for the standard state.

Parameters

coeffs Vector of coefficients used to set the parameters for the standard state.

Reimplemented from SpeciesThermoInterpType.

Definition at line 202 of file NasaPoly1.h.

References NasaPoly1::m_coeff.

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

Reimplemented from SpeciesThermoInterpType.

Definition at line 206 of file NasaPoly1.h.

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

Referenced by NasaThermo::modifyOneHf298(), NasaPoly2::modifyOneHf298(), NasaPoly1::modifyOneHf298(), NasaPoly2::reportHf298(), and NasaThermo::reportOneHf298().

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