The NASA 9 polynomial parameterization for a single species encompassing multiple temperature regions. More...

#include <Nasa9PolyMultiTempRegion.h>

Inheritance diagram for Nasa9PolyMultiTempRegion:

Collaboration diagram for Nasa9PolyMultiTempRegion:

Public Member Functions
	Nasa9PolyMultiTempRegion ()
	Empty constructor.

	Nasa9PolyMultiTempRegion (std::vector< Cantera::Nasa9Poly1 * > &regionPts)
	Constructor used in templated instantiations.

	Nasa9PolyMultiTempRegion (const Nasa9PolyMultiTempRegion &b)
	Copy constructor.

Nasa9PolyMultiTempRegion &	operator= (const Nasa9PolyMultiTempRegion &b)
	Assignment operator.

virtual	~Nasa9PolyMultiTempRegion ()
	Destructor.

virtual SpeciesThermoInterpType *	duplMyselfAsSpeciesThermoInterpType () const
	Duplicator.

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

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

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

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

virtual size_t	speciesIndex () const
	Returns an integer representing the species index.

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.

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

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.

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

Protected Attributes
doublereal	m_lowT
	lowest valid temperature

doublereal	m_highT
	highest valid temperature

doublereal	m_Pref
	standard-state pressure

size_t	m_index
	species index

size_t	m_numTempRegions
	Number of temperature regions.

vector_fp	m_lowerTempBounds
	Lower boundaries of each temperature regions.

std::vector< Nasa9Poly1 * >	m_regionPts
	pointers to the objects

int	m_currRegion
	current region

Detailed Description

The NASA 9 polynomial parameterization for a single species encompassing multiple temperature regions.

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 \((a_0,\dots,a_6)\) are used to represent \( C_p^0(T)\), \( H^0(T)\), and \( S^0(T) \) as polynomials in \( T \) :

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

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

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

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 this Nasa9PolyMultiTempRegion object, which uses multiple copies of the Nasa9Poly1 object to handle multiple temperature regions.

Definition at line 70 of file Nasa9PolyMultiTempRegion.h.

Constructor & Destructor Documentation

Nasa9PolyMultiTempRegion ( )

Empty constructor.

Definition at line 73 of file Nasa9PolyMultiTempRegion.cpp.

Referenced by Nasa9PolyMultiTempRegion::duplMyselfAsSpeciesThermoInterpType().

Nasa9PolyMultiTempRegion ( std::vector< Cantera::Nasa9Poly1 * > & regionPts )

Constructor used in templated instantiations.

Parameters

regionPts Vector of pointers to Nasa9Poly1 objects. These objects all refer to the temperature regions for the same species. The vector must be in increasing temperature region format. Together they represent the reference temperature parameterization for a single species.

Note, after the constructor, we will own the underlying Nasa9Poly1 objects and be responsible for owning them.

Definition at line 94 of file Nasa9PolyMultiTempRegion.cpp.

References Nasa9PolyMultiTempRegion::m_highT, Nasa9PolyMultiTempRegion::m_index, Nasa9PolyMultiTempRegion::m_lowerTempBounds, Nasa9PolyMultiTempRegion::m_lowT, Nasa9PolyMultiTempRegion::m_numTempRegions, Nasa9PolyMultiTempRegion::m_Pref, Nasa9PolyMultiTempRegion::m_regionPts, Nasa9PolyMultiTempRegion::maxTemp(), Nasa9PolyMultiTempRegion::refPressure(), and Nasa9PolyMultiTempRegion::speciesIndex().

Nasa9PolyMultiTempRegion ( const Nasa9PolyMultiTempRegion & b )

Copy constructor.

Parameters

b	object to be copied

Definition at line 139 of file Nasa9PolyMultiTempRegion.cpp.

References Nasa9PolyMultiTempRegion::m_numTempRegions, and Nasa9PolyMultiTempRegion::m_regionPts.

~Nasa9PolyMultiTempRegion ( )

virtual

Destructor.

Definition at line 183 of file Nasa9PolyMultiTempRegion.cpp.

References Nasa9PolyMultiTempRegion::m_numTempRegions, and Nasa9PolyMultiTempRegion::m_regionPts.

Member Function Documentation

Nasa9PolyMultiTempRegion & operator= ( const Nasa9PolyMultiTempRegion & b )

Assignment operator.

Parameters

b	object to be copied

Definition at line 160 of file Nasa9PolyMultiTempRegion.cpp.

References Nasa9PolyMultiTempRegion::m_currRegion, Nasa9PolyMultiTempRegion::m_highT, Nasa9PolyMultiTempRegion::m_index, Nasa9PolyMultiTempRegion::m_lowerTempBounds, Nasa9PolyMultiTempRegion::m_lowT, Nasa9PolyMultiTempRegion::m_numTempRegions, Nasa9PolyMultiTempRegion::m_Pref, and Nasa9PolyMultiTempRegion::m_regionPts.

SpeciesThermoInterpType * duplMyselfAsSpeciesThermoInterpType ( ) const

virtual

Duplicator.

Implements SpeciesThermoInterpType.

Definition at line 193 of file Nasa9PolyMultiTempRegion.cpp.

References Nasa9PolyMultiTempRegion::Nasa9PolyMultiTempRegion().

doublereal minTemp ( ) const

virtual

Returns the minimum temperature that the thermo parameterization is valid.

Implements SpeciesThermoInterpType.

Definition at line 201 of file Nasa9PolyMultiTempRegion.cpp.

References Nasa9PolyMultiTempRegion::m_lowT.

Referenced by Nasa9PolyMultiTempRegion::updateProperties().

doublereal maxTemp ( ) const

virtual

Returns the maximum temperature that the thermo parameterization is valid.

Implements SpeciesThermoInterpType.

Definition at line 208 of file Nasa9PolyMultiTempRegion.cpp.

References Nasa9PolyMultiTempRegion::m_highT.

Referenced by Nasa9PolyMultiTempRegion::Nasa9PolyMultiTempRegion(), and Nasa9PolyMultiTempRegion::updateProperties().

doublereal refPressure ( ) const

virtual

Returns the reference pressure (Pa)

Implements SpeciesThermoInterpType.

Definition at line 214 of file Nasa9PolyMultiTempRegion.cpp.

References Nasa9PolyMultiTempRegion::m_Pref.

Referenced by Nasa9PolyMultiTempRegion::Nasa9PolyMultiTempRegion().

int reportType ( ) const

virtual

Returns an integer representing the type of parameterization.

Implements SpeciesThermoInterpType.

Definition at line 220 of file Nasa9PolyMultiTempRegion.cpp.

References NASA9MULTITEMP.

size_t speciesIndex ( ) const

virtual

Returns an integer representing the species index.

Implements SpeciesThermoInterpType.

Definition at line 227 of file Nasa9PolyMultiTempRegion.cpp.

References Nasa9PolyMultiTempRegion::m_index.

Referenced by Nasa9PolyMultiTempRegion::Nasa9PolyMultiTempRegion().

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.

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);

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 257 of file Nasa9PolyMultiTempRegion.cpp.

References Nasa9PolyMultiTempRegion::m_currRegion, Nasa9PolyMultiTempRegion::m_numTempRegions, Nasa9PolyMultiTempRegion::m_regionPts, Nasa9PolyMultiTempRegion::maxTemp(), and Nasa9PolyMultiTempRegion::minTemp().

Referenced by Nasa9PolyMultiTempRegion::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, Pref of one of the species. The species index is used to reference into the cp_R, h_RT, and s_R arrays.

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);

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 308 of file Nasa9PolyMultiTempRegion.cpp.

References Nasa9PolyMultiTempRegion::m_currRegion, Nasa9PolyMultiTempRegion::m_lowerTempBounds, Nasa9PolyMultiTempRegion::m_numTempRegions, and Nasa9PolyMultiTempRegion::updateProperties().

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, index.

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 1 + 11*nzones coefficients coeffs[0] is equal to nTempZones. index = 1 for each zone: coeffs[index] = minTempZone coeffs[index+1] = maxTempZone coeffs[index+2+i] from i =0,9 are the coefficients themselves