Cantera  2.0
Public Member Functions | Protected Attributes | List of all members

The Shomate polynomial parameterization for two temperature ranges for one species. More...

#include <ShomatePoly.h>

Inheritance diagram for ShomatePoly2:
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Collaboration diagram for ShomatePoly2:
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Public Member Functions

 ShomatePoly2 ()
 Empty constructor.
 
 ShomatePoly2 (size_t n, doublereal tlow, doublereal thigh, doublereal pref, const doublereal *coeffs)
 Constructor used in templated instantiations.
 
 ShomatePoly2 (const ShomatePoly2 &b)
 Copy constructor.
 
ShomatePoly2operator= (const ShomatePoly2 &b)
 Assignment operator.
 
virtual ~ShomatePoly2 ()
 Destructor.
 
virtual SpeciesThermoInterpTypeduplMyselfAsSpeciesThermoInterpType () 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
 Minimum temperature the representation is valid(kelvin)
 
doublereal m_midT
 Midrange temperature (kelvin)
 
doublereal m_highT
 Maximum temperature the representation is valid (kelvin)
 
doublereal m_Pref
 Reference pressure (Pascal)
 
ShomatePolymsp_low
 Pointer to the Shomate polynomial for the low temperature region.
 
ShomatePolymsp_high
 Pointer to the Shomate polynomial for the high temperature region.
 
vector_fp m_coeff
 Array of the original coefficients.
 
size_t m_index
 Species index.
 

Detailed Description

The Shomate polynomial parameterization for two temperature ranges 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, \( T \), in one temperature region:

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

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

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

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:

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).

This function uses two temperature regions, each with a Shomate polynomial representation to represent the thermo functions. There are 15 coefficients, therefore, in this representation. The first coefficient is the midrange temperature.

Definition at line 410 of file ShomatePoly.h.

Constructor & Destructor Documentation

ShomatePoly2 ( )
inline

Empty constructor.

Definition at line 415 of file ShomatePoly.h.

References ShomatePoly2::m_coeff.

Referenced by ShomatePoly2::duplMyselfAsSpeciesThermoInterpType().

ShomatePoly2 ( size_t  n,
doublereal  tlow,
doublereal  thigh,
doublereal  pref,
const doublereal *  coeffs 
)
inline

Constructor used in templated instantiations.

Parameters
nSpecies index
tlowMinimum temperature
thighMaximum temperature
prefreference pressure (Pa).
coeffsVector of coefficients used to set the parameters for the standard state. There are 15 coefficients for the 2-zone Shomate polynomial. The first coefficient is the value of Tmid. The next 7 coefficients are the low temperature range Shomate coefficients. The last 7 are the high temperature range Shomate coefficients.

Definition at line 439 of file ShomatePoly.h.

References ShomatePoly2::m_coeff, ShomatePoly2::m_midT, ShomatePoly2::msp_high, and ShomatePoly2::msp_low.

ShomatePoly2 ( const ShomatePoly2 b)
inline
virtual ~ShomatePoly2 ( )
inlinevirtual

Destructor.

Definition at line 506 of file ShomatePoly.h.

References ShomatePoly2::msp_high, and ShomatePoly2::msp_low.

Member Function Documentation

ShomatePoly2& operator= ( const ShomatePoly2 b)
inline
virtual SpeciesThermoInterpType* duplMyselfAsSpeciesThermoInterpType ( ) const
inlinevirtual

duplicator

Implements SpeciesThermoInterpType.

Definition at line 514 of file ShomatePoly.h.

References ShomatePoly2::ShomatePoly2().

virtual doublereal minTemp ( ) const
inlinevirtual

Returns the minimum temperature that the thermo parameterization is valid.

Implements SpeciesThermoInterpType.

Definition at line 521 of file ShomatePoly.h.

References ShomatePoly2::m_lowT.

virtual doublereal maxTemp ( ) const
inlinevirtual

Returns the maximum temperature that the thermo parameterization is valid.

Implements SpeciesThermoInterpType.

Definition at line 527 of file ShomatePoly.h.

References ShomatePoly2::m_highT.

virtual doublereal refPressure ( ) const
inlinevirtual

Returns the reference pressure (Pa)

Implements SpeciesThermoInterpType.

Definition at line 532 of file ShomatePoly.h.

References ShomatePoly2::m_Pref.

virtual int reportType ( ) const
inlinevirtual

Returns an integer representing the type of parameterization.

Implements SpeciesThermoInterpType.

Definition at line 537 of file ShomatePoly.h.

References SHOMATE2.

virtual size_t speciesIndex ( ) const
inlinevirtual

Returns an integer representing the species index.

Implements SpeciesThermoInterpType.

Definition at line 542 of file ShomatePoly.h.

References ShomatePoly2::m_index.

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
ttvector of temperature polynomials
cp_RVector of Dimensionless heat capacities. (length m_kk).
h_RTVector of Dimensionless enthalpies. (length m_kk).
s_RVector of Dimensionless entropies. (length m_kk).

Reimplemented from SpeciesThermoInterpType.

Definition at line 569 of file ShomatePoly.h.

References ShomatePoly2::m_midT, ShomatePoly2::msp_high, ShomatePoly2::msp_low, and ShomatePoly::updateProperties().

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
tempTemperature (Kelvin)
cp_RVector of Dimensionless heat capacities. (length m_kk).
h_RTVector of Dimensionless enthalpies. (length m_kk).
s_RVector of Dimensionless entropies. (length m_kk).

Implements SpeciesThermoInterpType.

Definition at line 597 of file ShomatePoly.h.

References ShomatePoly2::m_midT, ShomatePoly2::msp_high, ShomatePoly2::msp_low, and ShomatePoly::updatePropertiesTemp().

virtual void reportParameters ( size_t &  n,
int &  type,
doublereal &  tlow,
doublereal &  thigh,
doublereal &  pref,
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
nSpecies index
typeInteger type of the standard type
tlowoutput - Minimum temperature
thighoutput - Maximum temperature
prefoutput - reference pressure (Pa).
coeffsVector of coefficients used to set the parameters for the standard state.

Implements SpeciesThermoInterpType.

Definition at line 622 of file ShomatePoly.h.

References ShomatePoly2::m_coeff, ShomatePoly2::m_highT, ShomatePoly2::m_index, ShomatePoly2::m_lowT, ShomatePoly2::m_Pref, and SHOMATE2.

virtual void modifyParameters ( doublereal *  coeffs)
inlinevirtual

Modify parameters for the standard state.

Here, we take the tact that we will just regenerate the object.

Parameters
coeffsVector of coefficients used to set the parameters for the standard state.

Reimplemented from SpeciesThermoInterpType.

Definition at line 644 of file ShomatePoly.h.

References ShomatePoly2::m_coeff, ShomatePoly2::m_highT, ShomatePoly2::m_index, ShomatePoly2::m_lowT, ShomatePoly2::m_midT, ShomatePoly2::m_Pref, ShomatePoly2::msp_high, and ShomatePoly2::msp_low.

Member Data Documentation

doublereal m_lowT
protected

Minimum temperature the representation is valid(kelvin)

Definition at line 687 of file ShomatePoly.h.

Referenced by ShomatePoly2::minTemp(), ShomatePoly2::modifyParameters(), ShomatePoly2::operator=(), ShomatePoly2::reportParameters(), and ShomatePoly2::ShomatePoly2().

doublereal m_midT
protected
doublereal m_highT
protected

Maximum temperature the representation is valid (kelvin)

Definition at line 691 of file ShomatePoly.h.

Referenced by ShomatePoly2::maxTemp(), ShomatePoly2::modifyParameters(), ShomatePoly2::operator=(), ShomatePoly2::reportParameters(), and ShomatePoly2::ShomatePoly2().

doublereal m_Pref
protected
ShomatePoly* msp_low
protected
ShomatePoly* msp_high
protected
vector_fp m_coeff
protected

Array of the original coefficients.

Definition at line 699 of file ShomatePoly.h.

Referenced by ShomatePoly2::modifyParameters(), ShomatePoly2::operator=(), ShomatePoly2::reportParameters(), and ShomatePoly2::ShomatePoly2().

size_t m_index
protected

The documentation for this class was generated from the following file: