Cantera
3.0.0
|
The NASA 9 polynomial parameterization for one temperature range. More...
#include <Nasa9Poly1.h>
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 in McBride, et al. [26].
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.
Definition at line 59 of file Nasa9Poly1.h.
Public Member Functions | |
Nasa9Poly1 (double tlow, double thigh, double pref, const double *coeffs) | |
Constructor with all input data. | |
void | setParameters (const vector< double > &coeffs) |
Set the array of 9 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 reports back 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. | |
Public Member Functions inherited from SpeciesThermoInterpType | |
SpeciesThermoInterpType (double tlow, double thigh, double pref) | |
SpeciesThermoInterpType (const SpeciesThermoInterpType &b)=delete | |
SpeciesThermoInterpType & | operator= (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 AnyMap & | input () const |
Access input data associated with the species thermo definition. | |
AnyMap & | input () |
Protected Attributes | |
vector< double > | m_coeff |
array of polynomial coefficients | |
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. | |
Nasa9Poly1 | ( | ) |
Definition at line 21 of file Nasa9Poly1.cpp.
Nasa9Poly1 | ( | double | tlow, |
double | thigh, | ||
double | pref, | ||
const double * | coeffs | ||
) |
Constructor with all input data.
tlow | Minimum temperature |
thigh | Maximum temperature |
pref | reference pressure (Pa). |
coeffs | Vector of coefficients used to set the parameters for the standard state. |
Definition at line 26 of file Nasa9Poly1.cpp.
void setParameters | ( | const vector< double > & | coeffs | ) |
Set the array of 9 polynomial coefficients.
Definition at line 33 of file Nasa9Poly1.cpp.
|
overridevirtual |
Returns an integer representing the type of parameterization.
Reimplemented from SpeciesThermoInterpType.
Definition at line 42 of file Nasa9Poly1.cpp.
|
inlineoverridevirtual |
Number of terms in the temperature polynomial for this parameterization.
Reimplemented from SpeciesThermoInterpType.
Definition at line 79 of file Nasa9Poly1.h.
|
overridevirtual |
Given the temperature T, compute the terms of the temperature polynomial T_poly.
Reimplemented from SpeciesThermoInterpType.
Definition at line 47 of file Nasa9Poly1.cpp.
|
overridevirtual |
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.
tt | vector of evaluated temperature functions |
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). |
Temperature Polynomial:
Reimplemented from SpeciesThermoInterpType.
Definition at line 58 of file Nasa9Poly1.cpp.
|
overridevirtual |
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.
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). |
Reimplemented from SpeciesThermoInterpType.
Definition at line 82 of file Nasa9Poly1.cpp.
|
overridevirtual |
This utility function reports back the type of parameterization and all of the parameters for the species.
All parameters are output variables
n | Species index |
type | Integer type of the standard type |
tlow | output - Minimum temperature |
thigh | output - Maximum temperature |
pref | output - reference pressure (Pa). |
coeffs | Vector 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.
|
Reimplemented from SpeciesThermoInterpType.
Definition at line 90 of file Nasa9Poly1.cpp.
|
overridevirtual |
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 106 of file Nasa9Poly1.cpp.
|
protected |
array of polynomial coefficients
Definition at line 125 of file Nasa9Poly1.h.