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The NASA polynomial parameterization for one temperature range. More...
#include <NasaPoly1.h>
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 | |
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, 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. | |
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inline |
Definition at line 50 of file NasaPoly1.h.
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inline |
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, in the order [a0,a1,a2,a3,a4,a5,a6] |
Definition at line 60 of file NasaPoly1.h.
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Set array of 7 polynomial coefficients.
Definition at line 68 of file NasaPoly1.h.
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inlineoverridevirtual |
Returns an integer representing the type of parameterization.
Reimplemented from SpeciesThermoInterpType.
Definition at line 77 of file NasaPoly1.h.
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inlineoverridevirtual |
Number of terms in the temperature polynomial for this parameterization.
Reimplemented from SpeciesThermoInterpType.
Definition at line 81 of file NasaPoly1.h.
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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.
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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.
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: 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.
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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.
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 124 of file NasaPoly1.h.
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inlineoverridevirtual |
This utility function returns the type of parameterization and all of the parameters for the species.
All parameters are output variables
index | Species index |
type | Integer type of the standard type |
minTemp | output - Minimum temperature |
maxTemp | output - Maximum temperature |
refPressure | output - reference pressure (Pa). |
coeffs | Vector of coefficients used to set the parameters for the standard state. |
Reimplemented from SpeciesThermoInterpType.
Definition at line 131 of file NasaPoly1.h.
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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.
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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.
h298 | If 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]. |
Reimplemented from SpeciesThermoInterpType.
Definition at line 147 of file NasaPoly1.h.
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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.
k | Species k |
Hf298New | Specify the new value of the Heat of Formation at 298K and 1 bar |
Reimplemented from SpeciesThermoInterpType.
Definition at line 167 of file NasaPoly1.h.
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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.
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protected |
array of polynomial coefficients, stored in the order [a0, ..., a6]
Definition at line 179 of file NasaPoly1.h.
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protected |
Definition at line 181 of file NasaPoly1.h.