Cantera 2.6.0

Public Member Functions | Protected Attributes | List of all members
NasaPoly2 Class Reference
Models of Phases of Matter » Thermodynamic Properties » Species Reference-State Thermodynamic Properties

The NASA polynomial parameterization for two temperature ranges. More...

`#include <NasaPoly2.h>`

Inheritance diagram for NasaPoly2:
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Collaboration diagram for NasaPoly2:
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## Public Member Functions
| NasaPoly2 (doublereal tlow, doublereal thigh, doublereal pref, const doublereal *coeffs)
| Constructor with all input data. More...
virtual void | setMinTemp (double Tmin)
| Set the minimum temperature at which the thermo parameterization is valid. More...
virtual void | setMaxTemp (double Tmax)
| Set the maximum temperature at which the thermo parameterization is valid. More...
virtual void | setRefPressure (double Pref)
| Set the reference pressure [Pa]. More...
void | setParameters (double Tmid, const vector_fp &low, const vector_fp &high)
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...
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...
void | updatePropertiesTemp (const doublereal temp, doublereal *cp_R, doublereal *h_RT, doublereal *s_R) const
| Compute the reference-state property of one species. More...
size_t | nCoeffs () const
| This utility function returns the number of coefficients for a given type of species parameterization. More...
void | reportParameters (size_t &n, int &type, doublereal &tlow, doublereal &thigh, doublereal &pref, doublereal *const coeffs) const
| This utility function returns the type of parameterization and all of the parameters for the species. More...
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. More...
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...
void | resetHf298 ()
| Restore the original heat of formation for this species. More...
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...
void | validate (const std::string &name)
| Check for problems with the parameterization, and generate warnings or throw and exception if any are found. More...
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 doublereal | minTemp () const
| Returns the minimum temperature that the thermo parameterization is valid. More...
virtual void | setMinTemp (double Tmin)
| Set the minimum temperature at which the thermo parameterization is valid. More...
virtual doublereal | maxTemp () const
| Returns the maximum temperature that the thermo parameterization is valid. More...
virtual void | setMaxTemp (double Tmax)
| Set the maximum temperature at which the thermo parameterization is valid. More...
virtual doublereal | refPressure () const
| Returns the reference pressure (Pa) More...
virtual void | setRefPressure (double Pref)
| Set 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 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 size_t | nCoeffs () const
| This utility function returns the number of coefficients for a given type of species parameterization. More...
virtual void | reportParameters (size_t &index, int &type, doublereal &minTemp, doublereal &maxTemp, doublereal &refPressure, doublereal *const coeffs) const
| This utility function returns the type of parameterization and all of the parameters for the species. More...
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. 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...
const AnyMap & | input () const
| Access input data associated with the species thermo definition. More...
AnyMap & | input ()

## Protected Attributes
doublereal | m_midT
| Midrange temperature. More...
NasaPoly1 | mnp_low
| NasaPoly1 object for the low temperature region. More...
NasaPoly1 | mnp_high
| NasaPoly1 object for the high temperature region. 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...
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. More...

## Detailed Description

The NASA polynomial parameterization for two temperature ranges.

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 \( T \) :

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

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

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

This class is designed specifically for use by the class MultiSpeciesThermo.

Definition at line 48 of file NasaPoly2.h.

## Constructor & Destructor Documentation

## ◆ NasaPoly2() [1/2]

NasaPoly2 | ( |  | ) |

Definition at line 11 of file NasaPoly2.cpp.

## ◆ NasaPoly2() [2/2]

NasaPoly2 | ( | doublereal | tlow,
|  | doublereal | thigh,
|  | doublereal | pref,
|  | const doublereal * | coeffs
| ) |  |
| inline

Constructor with all input data.

Parameters

  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 [Tmid, 7 high-T coeffs, 7 low-T coeffs]. This is the coefficient order used in the standard NASA format.

Definition at line 63 of file NasaPoly2.h.

## Member Function Documentation

## ◆ setMinTemp()

virtual void setMinTemp | ( | double | Tmin | ) |
| inline virtual

Set the minimum temperature at which the thermo parameterization is valid.

Reimplemented from SpeciesThermoInterpType.

Definition at line 71 of file NasaPoly2.h.

References NasaPoly2::mnp_low, and SpeciesThermoInterpType::setMinTemp().

## ◆ setMaxTemp()

virtual void setMaxTemp | ( | double | Tmax | ) |
| inline virtual

Set the maximum temperature at which the thermo parameterization is valid.

Reimplemented from SpeciesThermoInterpType.

Definition at line 76 of file NasaPoly2.h.

References NasaPoly2::mnp_high, and SpeciesThermoInterpType::setMaxTemp().

## ◆ setRefPressure()

virtual void setRefPressure | ( | double | Pref | ) |
| inline virtual

Set the reference pressure [Pa].

Reimplemented from SpeciesThermoInterpType.

Definition at line 81 of file NasaPoly2.h.

References NasaPoly2::mnp_high, NasaPoly2::mnp_low, and SpeciesThermoInterpType::setRefPressure().

## ◆ setParameters()

void setParameters | ( | double | Tmid,
|  | const vector_fp & | low,
|  | const vector_fp & | high
| ) |  |

Parameters

  Tmid | Temperature [K] at the boundary between the low and high temperature polynomials
  low | Vector of 7 coefficients for the low temperature polynomial
  high | Vector of 7 coefficients for the high temperature polynomial

Definition at line 16 of file NasaPoly2.cpp.

## ◆ reportType()

virtual int reportType | ( |  | ) | const
| inline virtual

Returns an integer representing the type of parameterization.

Reimplemented from SpeciesThermoInterpType.

Definition at line 95 of file NasaPoly2.h.

References NASA2.

## ◆ temperaturePolySize()

virtual size_t temperaturePolySize | ( |  | ) | const
| inline virtual

Number of terms in the temperature polynomial for this parameterization.

Reimplemented from SpeciesThermoInterpType.

Definition at line 99 of file NasaPoly2.h.

## ◆ updateTemperaturePoly()

virtual void updateTemperaturePoly | ( | double | T,
|  | double * | T_poly
| ) |  | const
| inline virtual

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

Reimplemented from SpeciesThermoInterpType.

Definition at line 101 of file NasaPoly2.h.

## ◆ updateProperties()

void updateProperties | ( | const doublereal * | tt,
|  | doublereal * | cp_R,
|  | doublereal * | h_RT,
|  | doublereal * | s_R
| ) |  | const
| inline 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

  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 106 of file NasaPoly2.h.

References NasaPoly2::m_midT, NasaPoly2::mnp_high, NasaPoly2::mnp_low, and NasaPoly1::updateProperties().

## ◆ updatePropertiesTemp()

void updatePropertiesTemp | ( | const doublereal | temp,
|  | doublereal * | cp_R,
|  | doublereal * | h_RT,
|  | doublereal * | s_R
| ) |  | const
| inline 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

  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 115 of file NasaPoly2.h.

References NasaPoly2::m_midT, NasaPoly2::mnp_high, NasaPoly2::mnp_low, and NasaPoly1::updatePropertiesTemp().

## ◆ nCoeffs()

size_t nCoeffs | ( |  | ) | const
| inline virtual

This utility function returns the number of coefficients for a given type of species parameterization.

Reimplemented from SpeciesThermoInterpType.

Definition at line 126 of file NasaPoly2.h.

## ◆ reportParameters()

void reportParameters | ( | size_t & | index,
|  | int & | type,
|  | doublereal & | minTemp,
|  | doublereal & | maxTemp,
|  | doublereal & | refPressure,
|  | doublereal *const | coeffs
| ) |  | const
| inline virtual

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

All parameters are output variables

Parameters

  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 128 of file NasaPoly2.h.

## ◆ getParameters()

void getParameters | ( | AnyMap & | thermo | ) | const
| virtual

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 25 of file NasaPoly2.cpp.

## ◆ reportHf298()

doublereal reportHf298 | ( | doublereal *const | h298 = `0` | ) | const
| inline virtual

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

  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].

Returns
  the current value of the Heat of Formation at 298K and 1 bar for species m_speciesIndex.

Reimplemented from SpeciesThermoInterpType.

Definition at line 139 of file NasaPoly2.h.

References NasaPoly2::m_midT, NasaPoly2::mnp_high, NasaPoly2::mnp_low, and NasaPoly1::reportHf298().

Referenced by NasaPoly2::modifyOneHf298().

## ◆ resetHf298()

void resetHf298 | ( |  | ) |
| inline virtual

Restore the original heat of formation for this species.

Resets changes made by modifyOneHf298().

Reimplemented from SpeciesThermoInterpType.

Definition at line 152 of file NasaPoly2.h.

References NasaPoly2::mnp_high, NasaPoly2::mnp_low, and NasaPoly1::resetHf298().

## ◆ modifyOneHf298()

void modifyOneHf298 | ( | const size_t | k,
|  | const doublereal | Hf298New
| ) |  |
| inline virtual

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

  k | Species k
  Hf298New | Specify the new value of the Heat of Formation at 298K and 1 bar

Reimplemented from SpeciesThermoInterpType.

Definition at line 157 of file NasaPoly2.h.

References NasaPoly2::mnp_high, NasaPoly2::mnp_low, NasaPoly1::modifyOneHf298(), NasaPoly1::reportHf298(), and NasaPoly2::reportHf298().

## ◆ validate()

void validate | ( | const std::string & | name | ) |
| virtual

Check for problems with the parameterization, and generate warnings or throw and exception if any are found.

Reimplemented from SpeciesThermoInterpType.

Definition at line 36 of file NasaPoly2.cpp.

References Cantera::thermo_warnings_suppressed(), and Cantera::warn_user().

## Member Data Documentation

## ◆ m_midT

doublereal m_midT
| protected

Midrange temperature.

Definition at line 172 of file NasaPoly2.h.

Referenced by NasaPoly2::reportHf298(), NasaPoly2::updateProperties(), and NasaPoly2::updatePropertiesTemp().

## ◆ mnp_low

NasaPoly1 mnp_low
| protected

NasaPoly1 object for the low temperature region.

Definition at line 174 of file NasaPoly2.h.

Referenced by NasaPoly2::modifyOneHf298(), NasaPoly2::reportHf298(), NasaPoly2::resetHf298(), NasaPoly2::setMinTemp(), NasaPoly2::setRefPressure(), NasaPoly2::updateProperties(), and NasaPoly2::updatePropertiesTemp().

## ◆ mnp_high

NasaPoly1 mnp_high
| protected

NasaPoly1 object for the high temperature region.

Definition at line 176 of file NasaPoly2.h.

Referenced by NasaPoly2::modifyOneHf298(), NasaPoly2::reportHf298(), NasaPoly2::resetHf298(), NasaPoly2::setMaxTemp(), NasaPoly2::setRefPressure(), NasaPoly2::updateProperties(), and NasaPoly2::updatePropertiesTemp().

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

- NasaPoly2.h
- NasaPoly2.cpp