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

#include <Nasa9Poly1.h>

Inheritance diagram for Nasa9Poly1:
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Collaboration diagram for Nasa9Poly1:
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Public Member Functions

 Nasa9Poly1 ()
 Empty constructor. More...
 
 Nasa9Poly1 (size_t n, doublereal tlow, doublereal thigh, doublereal pref, const doublereal *coeffs)
 constructor used in templated instantiations More...
 
 Nasa9Poly1 (double tlow, double thigh, double pref, const double *coeffs)
 Normal constructor. More...
 
 Nasa9Poly1 (const Nasa9Poly1 &b)
 copy constructor More...
 
Nasa9Poly1operator= (const Nasa9Poly1 &b)
 assignment operator More...
 
virtual SpeciesThermoInterpTypeduplMyselfAsSpeciesThermoInterpType () 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...
 
- 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)
 
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...
 

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...
 
size_t m_index
 species index 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 71 of file Nasa9Poly1.h.

Constructor & Destructor Documentation

Empty constructor.

Definition at line 18 of file Nasa9Poly1.cpp.

References SpeciesThermoInterpType::m_Pref.

Nasa9Poly1 ( size_t  n,
doublereal  tlow,
doublereal  thigh,
doublereal  pref,
const doublereal *  coeffs 
)

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.
Deprecated:
Use the constructor whic hdoes not require the species index. To be removed after Cantera 2.2.

Definition at line 24 of file Nasa9Poly1.cpp.

Nasa9Poly1 ( double  tlow,
double  thigh,
double  pref,
const double *  coeffs 
)

Normal constructor.

Parameters
tlowMinimum temperature
thighMaximum temperature
prefreference pressure (Pa).
coeffsVector of coefficients used to set the parameters for the standard state.

Definition at line 32 of file Nasa9Poly1.cpp.

Nasa9Poly1 ( const Nasa9Poly1 b)

copy constructor

Parameters
bobject to be copied

Definition at line 39 of file Nasa9Poly1.cpp.

Member Function Documentation

Nasa9Poly1 & operator= ( const Nasa9Poly1 b)

assignment operator

Parameters
bobject to be copied

Definition at line 45 of file Nasa9Poly1.cpp.

References Nasa9Poly1::m_coeff.

int reportType ( ) const
virtual

Returns an integer representing the type of parameterization.

Implements SpeciesThermoInterpType.

Definition at line 60 of file Nasa9Poly1.cpp.

References NASA9.

virtual size_t temperaturePolySize ( ) const
inlinevirtual

Number of terms in the temperature polynomial for this parameterization.

Reimplemented from SpeciesThermoInterpType.

Definition at line 118 of file Nasa9Poly1.h.

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 65 of file Nasa9Poly1.cpp.

Referenced by Nasa9Poly1::updatePropertiesTemp().

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
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 76 of file Nasa9Poly1.cpp.

References Nasa9Poly1::m_coeff, and SpeciesThermoInterpType::m_index.

Referenced by Nasa9Poly1::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
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 103 of file Nasa9Poly1.cpp.

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

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
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. 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

Implements SpeciesThermoInterpType.

Definition at line 112 of file Nasa9Poly1.cpp.

References Nasa9Poly1::m_coeff, SpeciesThermoInterpType::m_highT, SpeciesThermoInterpType::m_index, SpeciesThermoInterpType::m_lowT, SpeciesThermoInterpType::m_Pref, and NASA9.

void modifyParameters ( doublereal *  coeffs)
virtual

Modify parameters for the standard state.

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

Reimplemented from SpeciesThermoInterpType.

Definition at line 130 of file Nasa9Poly1.cpp.

References Nasa9Poly1::m_coeff.

Member Data Documentation

vector_fp m_coeff
protected

array of polynomial coefficients

Definition at line 204 of file Nasa9Poly1.h.

Referenced by Nasa9Poly1::modifyParameters(), Nasa9Poly1::operator=(), Nasa9Poly1::reportParameters(), and Nasa9Poly1::updateProperties().


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