Cantera  2.3.0
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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 (double tlow, double thigh, double pref, const double *coeffs)
 Normal constructor. 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. More...
 
virtual void modifyParameters (doublereal *coeffs)
 
- Public Member Functions inherited from SpeciesThermoInterpType
 SpeciesThermoInterpType (double tlow, double thigh, double pref)
 
 SpeciesThermoInterpType (const SpeciesThermoInterpType &b)
 
SpeciesThermoInterpTypeoperator= (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 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...
 
virtual void resetHf298 ()
 Restore the original heat of formation for this species. 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...
 

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 61 of file Nasa9Poly1.h.

Constructor & Destructor Documentation

◆ Nasa9Poly1() [1/2]

Empty constructor.

Deprecated:
Default constructor to be removed after Cantera 2.3.

Definition at line 19 of file Nasa9Poly1.cpp.

References SpeciesThermoInterpType::m_Pref, and Cantera::warn_deprecated().

Referenced by Nasa9Poly1::duplMyselfAsSpeciesThermoInterpType().

◆ Nasa9Poly1() [2/2]

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 27 of file Nasa9Poly1.cpp.

Member Function Documentation

◆ duplMyselfAsSpeciesThermoInterpType()

SpeciesThermoInterpType * duplMyselfAsSpeciesThermoInterpType ( ) const
virtual
Deprecated:
To be removed after Cantera 2.3 for all classes derived from SpeciesThermoInterpType.

Implements SpeciesThermoInterpType.

Definition at line 34 of file Nasa9Poly1.cpp.

References Nasa9Poly1::Nasa9Poly1().

◆ reportType()

int reportType ( ) const
virtual

Returns an integer representing the type of parameterization.

Implements SpeciesThermoInterpType.

Definition at line 39 of file Nasa9Poly1.cpp.

References NASA9.

◆ temperaturePolySize()

virtual size_t temperaturePolySize ( ) const
inlinevirtual

Number of terms in the temperature polynomial for this parameterization.

Reimplemented from SpeciesThermoInterpType.

Definition at line 83 of file Nasa9Poly1.h.

◆ updateTemperaturePoly()

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 44 of file Nasa9Poly1.cpp.

Referenced by Nasa9Poly1::updatePropertiesTemp().

◆ updateProperties()

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.

The form and length of the Temperature Polynomial may vary depending on the parameterization.

Parameters
ttvector of evaluated temperature functions
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).

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);

Reimplemented from SpeciesThermoInterpType.

Definition at line 55 of file Nasa9Poly1.cpp.

References Nasa9Poly1::m_coeff.

Referenced by Nasa9Poly1::updatePropertiesTemp().

◆ 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, of the species.

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 80 of file Nasa9Poly1.cpp.

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

◆ reportParameters()

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.

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 89 of file Nasa9Poly1.cpp.

◆ modifyParameters()

void modifyParameters ( doublereal *  coeffs)
virtual
Deprecated:
To be removed after Cantera 2.3.

Use MultiSpeciesThermo::modifySpecies instead.

Reimplemented from SpeciesThermoInterpType.

Definition at line 107 of file Nasa9Poly1.cpp.

References Nasa9Poly1::m_coeff, and Cantera::warn_deprecated().

Member Data Documentation

◆ m_coeff

vector_fp m_coeff
protected

array of polynomial coefficients

Definition at line 134 of file Nasa9Poly1.h.

Referenced by Nasa9Poly1::modifyParameters(), and Nasa9Poly1::updateProperties().


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