The Shomate polynomial parameterization for one temperature range for one species. More...

#include <ShomatePoly.h>

Inheritance diagram for ShomatePoly:

Collaboration diagram for ShomatePoly:

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

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

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

ShomatePoly &	operator= (const ShomatePoly &b)
	Assignment operator. More...

virtual SpeciesThermoInterpType *	duplMyselfAsSpeciesThermoInterpType () const
	duplicator More...

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

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

Public Member Functions inherited from SpeciesThermoInterpType
	SpeciesThermoInterpType ()
	Constructor. More...

	SpeciesThermoInterpType (size_t n, doublereal tlow, doublereal thigh, doublereal pref)
	Constructor. More...

virtual	~SpeciesThermoInterpType ()
	Destructor. More...

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

Protected Attributes
vector_fp	m_coeff
	Array of coeffcients. 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 Shomate polynomial parameterization for one temperature range for one species.

Seven coefficients \((A,\dots,G)\) are used to represent \( c_p^0(T)\), \( h^0(T)\), and \( s^0(T) \) as polynomials in the temperature, \( T \) :

\[ \tilde{c}_p^0(T) = A + B t + C t^2 + D t^3 + \frac{E}{t^2} \]

\[ \tilde{h}^0(T) = A t + \frac{B t^2}{2} + \frac{C t^3}{3} + \frac{D t^4}{4} - \frac{E}{t} + F. \]

\[ \tilde{s}^0(T) = A\ln t + B t + \frac{C t^2}{2} + \frac{D t^3}{3} - \frac{E}{2t^2} + G. \]

In the above expressions, the thermodynamic polynomials are expressed in dimensional units, but the temperature, \( t \), is divided by 1000. The following dimensions are assumed in the above expressions:

\( \tilde{c}_p^0(T)\) = Heat Capacity (J/gmol*K)
\( \tilde{h}^0(T) \) = standard Enthalpy (kJ/gmol)
\( \tilde{s}^0(T) \)= standard Entropy (J/gmol*K)
\( t \)= temperature (K) / 1000.

For more information about Shomate polynomials, see the NIST website, http://webbook.nist.gov/

Before being used within Cantera, the dimensions must be adjusted to those used by Cantera (i.e., Joules and kmol).

Definition at line 56 of file ShomatePoly.h.

Constructor & Destructor Documentation

ShomatePoly ( )

inline

Empty constructor.

Definition at line 60 of file ShomatePoly.h.

Referenced by ShomatePoly::duplMyselfAsSpeciesThermoInterpType().

ShomatePoly	(	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 for species n. There are 7 coefficients for the Shomate polynomial: c[0] = \( A \) c[1] = \( B \) c[2] = \( C \) c[3] = \( D \) c[4] = \( E \) c[5] = \( F \) c[6] = \( G \)

See the class description for the polynomial representation of the thermo functions in terms of \( A, \dots, G \).

Definition at line 82 of file ShomatePoly.h.

References ShomatePoly::m_coeff.

ShomatePoly ( const ShomatePoly & b )

inline

copy constructor

Parameters

b	object to be copied

Definition at line 94 of file ShomatePoly.h.

References ShomatePoly::m_coeff.

Member Function Documentation

ShomatePoly& operator= ( const ShomatePoly & b )

inline

Assignment operator.

Parameters

b

Definition at line 107 of file ShomatePoly.h.

References ShomatePoly::m_coeff.

virtual SpeciesThermoInterpType* duplMyselfAsSpeciesThermoInterpType ( ) const

inlinevirtual

duplicator

Implements SpeciesThermoInterpType.

Definition at line 119 of file ShomatePoly.h.

References ShomatePoly::ShomatePoly().

virtual int reportType ( ) const

inlinevirtual

Returns an integer representing the type of parameterization.

Implements SpeciesThermoInterpType.

Definition at line 124 of file ShomatePoly.h.

References SHOMATE.

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.

tt is T/1000.
m_t[0] = tt
m_t[1] = tt*tt
m_t[2] = m_t[1]*tt
m_t[3] = 1.0/m_t[1]
m_t[4] = log(tt)
m_t[5] = 1.0/GasConstant
m_t[6] = 1.0/(GasConstant * 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 149 of file ShomatePoly.h.

References ShomatePoly::m_coeff, SpeciesThermoInterpType::m_index, and Cantera::OneThird.

Referenced by ShomateThermo::update_one(), ShomatePoly2::updateProperties(), and ShomatePoly::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 180 of file ShomatePoly.h.

References Cantera::GasConstant, and ShomatePoly::updateProperties().

Referenced by ShomatePoly2::updatePropertiesTemp().