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

#include <NasaPoly1.h>

Inheritance diagram for NasaPoly1:
[legend]

Detailed Description

The NASA polynomial parameterization for one temperature range.

This parameterization expresses the heat capacity as a fourth-order polynomial. Note that this is the form used in the 1971 NASA equilibrium program and by the Chemkin software package, but differs from the form used in the more recent NASA equilibrium program.

Seven coefficients \( (a_0,\dots,a_6) \) are used to represent \( c_p^0(T) \), \( h^0(T) \), and \( s^0(T) \) as polynomials in \( T \) :

\[ \frac{c_p(T)}{R} = a_0 + a_1 T + a_2 T^2 + a_3 T^3 + a_4 T^4 \]

\[ \frac{h^0(T)}{RT} = a_0 + \frac{a_1}{2} T + \frac{a_2}{3} T^2 + \frac{a_3}{4} T^3 + \frac{a_4}{5} T^4 + \frac{a_5}{T}. \]

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

Definition at line 47 of file NasaPoly1.h.

Public Member Functions

 NasaPoly1 (double tlow, double thigh, double pref, const double *coeffs)
 Constructor with all input data.
 
void setParameters (const vector< double > &coeffs)
 Set array of 7 polynomial coefficients.
 
int reportType () const override
 Returns an integer representing the type of parameterization.
 
size_t temperaturePolySize () const override
 Number of terms in the temperature polynomial for this parameterization.
 
void updateTemperaturePoly (double T, double *T_poly) const override
 Given the temperature T, compute the terms of the temperature polynomial T_poly.
 
void updateProperties (const double *tt, double *cp_R, double *h_RT, double *s_R) const override
 Update the properties for this species, given a temperature polynomial.
 
void updatePropertiesTemp (const double temp, double *cp_R, double *h_RT, double *s_R) const override
 Compute the reference-state property of one species.
 
void reportParameters (size_t &n, int &type, double &tlow, double &thigh, double &pref, double *const coeffs) const override
 This utility function returns the type of parameterization and all of the parameters for the species.
 
void getParameters (AnyMap &thermo) const override
 Store the parameters of the species thermo object such that an identical species thermo object could be reconstructed using the newSpeciesThermo() function.
 
double reportHf298 (double *const h298=nullptr) const override
 Report the 298 K Heat of Formation of the standard state of one species (J kmol-1)
 
void modifyOneHf298 (const size_t k, const double Hf298New) override
 Modify the value of the 298 K Heat of Formation of one species in the phase (J kmol-1)
 
void resetHf298 () override
 Restore the original heat of formation for this species.
 
- Public Member Functions inherited from SpeciesThermoInterpType
 SpeciesThermoInterpType (double tlow, double thigh, double pref)
 
 SpeciesThermoInterpType (const SpeciesThermoInterpType &b)=delete
 
SpeciesThermoInterpTypeoperator= (const SpeciesThermoInterpType &b)=delete
 
virtual double minTemp () const
 Returns the minimum temperature that the thermo parameterization is valid.
 
virtual void setMinTemp (double Tmin)
 Set the minimum temperature at which the thermo parameterization is valid.
 
virtual double maxTemp () const
 Returns the maximum temperature that the thermo parameterization is valid.
 
virtual void setMaxTemp (double Tmax)
 Set the maximum temperature at which the thermo parameterization is valid.
 
virtual double refPressure () const
 Returns the reference pressure (Pa)
 
virtual void setRefPressure (double Pref)
 Set the reference pressure [Pa].
 
virtual void validate (const string &name)
 Check for problems with the parameterization, and generate warnings or throw and exception if any are found.
 
virtual int reportType () const
 Returns an integer representing the type of parameterization.
 
virtual size_t temperaturePolySize () const
 Number of terms in the temperature polynomial for this parameterization.
 
virtual void updateTemperaturePoly (double T, double *T_poly) const
 Given the temperature T, compute the terms of the temperature polynomial T_poly.
 
virtual void updateProperties (const double *tt, double *cp_R, double *h_RT, double *s_R) const
 Update the properties for this species, given a temperature polynomial.
 
virtual void updatePropertiesTemp (const double temp, double *cp_R, double *h_RT, double *s_R) const
 Compute the reference-state property of one species.
 
virtual size_t nCoeffs () const
 This utility function returns the number of coefficients for a given type of species parameterization.
 
virtual void reportParameters (size_t &index, int &type, double &minTemp, double &maxTemp, double &refPressure, double *const coeffs) const
 This utility function returns the type of parameterization and all of the parameters for the species.
 
AnyMap parameters (bool withInput=true) const
 Return the parameters of the species thermo object such that an identical species thermo object could be reconstructed using the newSpeciesThermo() function.
 
virtual double reportHf298 (double *const h298=0) const
 Report the 298 K Heat of Formation of the standard state of one species (J kmol-1)
 
virtual void modifyOneHf298 (const size_t k, const double Hf298New)
 Modify the value of the 298 K Heat of Formation of one species in the phase (J kmol-1)
 
virtual void resetHf298 ()
 Restore the original heat of formation for this species.
 
const AnyMapinput () const
 Access input data associated with the species thermo definition.
 
AnyMapinput ()
 

Protected Attributes

vector< double > m_coeff
 array of polynomial coefficients, stored in the order [a0, ..., a6]
 
double m_coeff5_orig
 
- Protected Attributes inherited from SpeciesThermoInterpType
double m_lowT = 0.0
 lowest valid temperature
 
double m_highT = 0.0
 Highest valid temperature.
 
double m_Pref = 0.0
 Reference state pressure.
 
AnyMap m_input
 

Additional Inherited Members

virtual void getParameters (AnyMap &thermo) const
 Store the parameters of the species thermo object such that an identical species thermo object could be reconstructed using the newSpeciesThermo() function.
 

Constructor & Destructor Documentation

◆ NasaPoly1() [1/2]

NasaPoly1 ( )
inline

Definition at line 50 of file NasaPoly1.h.

◆ NasaPoly1() [2/2]

NasaPoly1 ( double  tlow,
double  thigh,
double  pref,
const double *  coeffs 
)
inline

Constructor with all input data.

Parameters
tlowMinimum temperature
thighMaximum temperature
prefreference pressure (Pa).
coeffsVector of coefficients used to set the parameters for the standard state, in the order [a0,a1,a2,a3,a4,a5,a6]

Definition at line 60 of file NasaPoly1.h.

Member Function Documentation

◆ setParameters()

void setParameters ( const vector< double > &  coeffs)
inline

Set array of 7 polynomial coefficients.

Definition at line 68 of file NasaPoly1.h.

◆ reportType()

int reportType ( ) const
inlineoverridevirtual

Returns an integer representing the type of parameterization.

Reimplemented from SpeciesThermoInterpType.

Definition at line 77 of file NasaPoly1.h.

◆ temperaturePolySize()

size_t temperaturePolySize ( ) const
inlineoverridevirtual

Number of terms in the temperature polynomial for this parameterization.

Reimplemented from SpeciesThermoInterpType.

Definition at line 81 of file NasaPoly1.h.

◆ updateTemperaturePoly()

void updateTemperaturePoly ( double  T,
double *  T_poly 
) const
inlineoverridevirtual

Given the temperature T, compute the terms of the temperature polynomial T_poly.

Reimplemented from SpeciesThermoInterpType.

Definition at line 83 of file NasaPoly1.h.

◆ updateProperties()

void updateProperties ( const double *  tt,
double *  cp_R,
double *  h_RT,
double *  s_R 
) const
inlineoverridevirtual

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] = m_t[1]*t; tt[3] = m_t[2]*t; tt[4] = 1.0/t; tt[5] = std::log(t);

Reimplemented from SpeciesThermoInterpType.

Definition at line 103 of file NasaPoly1.h.

◆ updatePropertiesTemp()

void updatePropertiesTemp ( const double  temp,
double *  cp_R,
double *  h_RT,
double *  s_R 
) const
inlineoverridevirtual

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).

Reimplemented from SpeciesThermoInterpType.

Definition at line 124 of file NasaPoly1.h.

◆ reportParameters()

void reportParameters ( size_t &  index,
int &  type,
double &  minTemp,
double &  maxTemp,
double &  refPressure,
double *const  coeffs 
) const
inlineoverridevirtual

This utility function returns the type of parameterization and all of the parameters for the species.

All parameters are output variables

Parameters
indexSpecies index
typeInteger type of the standard type
minTempoutput - Minimum temperature
maxTempoutput - Maximum temperature
refPressureoutput - reference pressure (Pa).
coeffsVector of coefficients used to set the parameters for the standard state.

Reimplemented from SpeciesThermoInterpType.

Definition at line 131 of file NasaPoly1.h.

◆ getParameters()

void getParameters ( AnyMap thermo) const
inlineoverridevirtual

Store the parameters of the species thermo object such that an identical species thermo object could be reconstructed using the newSpeciesThermo() function.

Reimplemented from SpeciesThermoInterpType.

Definition at line 141 of file NasaPoly1.h.

◆ reportHf298()

double reportHf298 ( double *const  h298 = nullptr) const
inlineoverridevirtual

Report the 298 K Heat of Formation of the standard state of one species (J kmol-1)

The 298K Heat of Formation is defined as the enthalpy change to create the standard state of the species from its constituent elements in their standard states at 298 K and 1 bar.

Parameters
h298If this is nonnull, the current value of the Heat of Formation at 298K and 1 bar for species m_speciesIndex is returned in h298[m_speciesIndex].
Returns
the current value of the Heat of Formation at 298K and 1 bar for species m_speciesIndex.

Reimplemented from SpeciesThermoInterpType.

Definition at line 147 of file NasaPoly1.h.

◆ modifyOneHf298()

void modifyOneHf298 ( const size_t  k,
const double  Hf298New 
)
inlineoverridevirtual

Modify the value of the 298 K Heat of Formation of one species in the phase (J kmol-1)

The 298K heat of formation is defined as the enthalpy change to create the standard state of the species from its constituent elements in their standard states at 298 K and 1 bar.

Parameters
kSpecies k
Hf298NewSpecify the new value of the Heat of Formation at 298K and 1 bar

Reimplemented from SpeciesThermoInterpType.

Definition at line 167 of file NasaPoly1.h.

◆ resetHf298()

void resetHf298 ( )
inlineoverridevirtual

Restore the original heat of formation for this species.

Resets changes made by modifyOneHf298().

Reimplemented from SpeciesThermoInterpType.

Definition at line 173 of file NasaPoly1.h.

Member Data Documentation

◆ m_coeff

vector<double> m_coeff
protected

array of polynomial coefficients, stored in the order [a0, ..., a6]

Definition at line 179 of file NasaPoly1.h.

◆ m_coeff5_orig

double m_coeff5_orig
protected

Definition at line 181 of file NasaPoly1.h.


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