A species thermodynamic property manager for the NASA polynomial parameterization with two temperature ranges. More...
#include <NasaThermo.h>
Public Member Functions | |
NasaThermo () | |
constructor | |
NasaThermo (const NasaThermo &right) | |
Copy constructor. | |
NasaThermo & | operator= (const NasaThermo &right) |
Assignment operator. | |
virtual | ~NasaThermo () |
destructor | |
virtual SpeciesThermo * | duplMyselfAsSpeciesThermo () const |
Duplication routine for objects which inherit from SpeciesThermo. | |
virtual void | install (string name, int index, int type, const doublereal *c, doublereal minTemp, doublereal maxTemp, doublereal refPressure) |
install a new species thermodynamic property parameterization for one species. | |
virtual void | install_STIT (SpeciesThermoInterpType *stit_ptr) |
Install a new species thermodynamic property parameterization for one species. | |
virtual void | update_one (int k, doublereal t, doublereal *cp_R, doublereal *h_RT, doublereal *s_R) const |
Like update(), but only updates the single species k. | |
virtual void | update (doublereal t, doublereal *cp_R, doublereal *h_RT, doublereal *s_R) const |
Compute the reference-state properties for all species. | |
virtual doublereal | minTemp (int k=-1) const |
Minimum temperature. | |
virtual doublereal | maxTemp (int k=-1) const |
Maximum temperature. | |
virtual doublereal | refPressure (int k=-1) const |
The reference-state pressure for species k. | |
virtual int | reportType (int index) const |
This utility function reports the type of parameterization used for the species with index number index. | |
virtual void | reportParams (int index, int &type, doublereal *const c, doublereal &minTemp, doublereal &maxTemp, doublereal &refPressure) const |
virtual void | modifyParams (int index, doublereal *c) |
Modify parameters for the standard state. | |
virtual void | install (std::string name, int index, int type, const doublereal *c, doublereal minTemp, doublereal maxTemp, doublereal refPressure)=0 |
Install a new species thermodynamic property parameterization for one species. | |
Public Attributes | |
const int | ID |
Initialized to the type of parameterization. | |
Protected Attributes | |
vector< vector< NasaPoly1 > > | m_high |
Vector of vector of NasaPoly1's for the high temp region. | |
vector< vector< NasaPoly1 > > | m_low |
Vector of vector of NasaPoly1's for the low temp region. | |
map< int, int > | m_index |
Map between the midpoint temperature, as an int, to the group number. | |
vector_fp | m_tmid |
Vector of log temperature limits. | |
doublereal | m_tlow_max |
Maximum value of the low temperature limit. | |
doublereal | m_thigh_min |
Minimum value of the high temperature limit. | |
vector_fp | m_tlow |
Vector of low temperature limits (species index). | |
vector_fp | m_thigh |
Vector of low temperature limits (species index). | |
doublereal | m_p0 |
Reference pressure (Pa). | |
int | m_ngroups |
number of groups | |
vector_fp | m_t |
Vector of temperature polynomials. | |
map< int, int > | m_group_map |
map< int, int > | m_posInGroup_map |
map< int, string > | m_name |
Species name as a function of the species index. | |
Private Member Functions | |
void | checkContinuity (std::string name, double tmid, const doublereal *clow, doublereal *chigh) |
see SpeciesThermoFactory.cpp for the definition | |
doublereal | enthalpy_RT (double t, const doublereal *c) |
for internal use by checkContinuity | |
doublereal | entropy_R (double t, const doublereal *c) |
for internal use by checkContinuity |
A species thermodynamic property manager for the NASA polynomial parameterization with two temperature ranges.
This class is designed to efficiently evaluate the properties of a large number of species with the NASA parameterization.
The original NASA polynomial parameterization expressed the heat capacity as a fourth-order polynomial in temperature, with separate coefficients for each of two temperature ranges. (The newer NASA format adds coefficients for 1/T and 1/T^2, and allows multiple temperature ranges.) This class is designed for use with the original parameterization, which is used, for example, by the Chemkin software package.
In many cases, the midpoint temperature is the same for many species. To take advantage of this, class NasaThermo groups species with a common midpoint temperature, so that checking which range the desired temperature is in need be done only once for each group.
Definition at line 55 of file NasaThermo.h.
NasaThermo | ( | ) | [inline] |
constructor
Definition at line 66 of file NasaThermo.h.
References NasaThermo::m_t.
Referenced by NasaThermo::duplMyselfAsSpeciesThermo().
NasaThermo | ( | const NasaThermo & | right | ) | [inline] |
Copy constructor.
right | NasaThermo object to be copied. |
Definition at line 80 of file NasaThermo.h.
References NasaThermo::operator=().
virtual ~NasaThermo | ( | ) | [inline, virtual] |
destructor
Definition at line 120 of file NasaThermo.h.
void checkContinuity | ( | std::string | name, | |
double | tmid, | |||
const doublereal * | clow, | |||
doublereal * | chigh | |||
) | [private] |
see SpeciesThermoFactory.cpp for the definition
name | string name of species | |
tmid | Mid temperature, between the two temperature regions | |
clow | coefficients for lower temperature region | |
chigh | coefficients for higher temperature region |
Definition at line 251 of file SpeciesThermoFactory.cpp.
References NasaThermo::enthalpy_RT(), NasaThermo::entropy_R(), Cantera::fp2str(), Cantera::poly4(), and Cantera::writelog().
Referenced by NasaThermo::install(), and NasaThermo::modifyParams().
virtual SpeciesThermo* duplMyselfAsSpeciesThermo | ( | ) | const [inline, virtual] |
Duplication routine for objects which inherit from SpeciesThermo.
This virtual routine can be used to duplicate SpeciesThermo objects inherited from SpeciesThermo even if the application only has a pointer to SpeciesThermo to work with. ->commented out because we first need to add copy constructors and assignment operators to all of the derived classes.
Implements SpeciesThermo.
Definition at line 131 of file NasaThermo.h.
References NasaThermo::NasaThermo().
doublereal enthalpy_RT | ( | double | t, | |
const doublereal * | c | |||
) | [inline, private] |
for internal use by checkContinuity
t | temperature | |
c | coefficient array |
Definition at line 599 of file NasaThermo.h.
References Cantera::OneThird.
Referenced by NasaThermo::checkContinuity().
doublereal entropy_R | ( | double | t, | |
const doublereal * | c | |||
) | [inline, private] |
for internal use by checkContinuity
t | temperature | |
c | coefficient array |
Definition at line 610 of file NasaThermo.h.
References Cantera::OneThird.
Referenced by NasaThermo::checkContinuity().
virtual void install | ( | std::string | name, | |
int | index, | |||
int | type, | |||
const doublereal * | c, | |||
doublereal | minTemp, | |||
doublereal | maxTemp, | |||
doublereal | refPressure | |||
) | [pure virtual, inherited] |
Install a new species thermodynamic property parameterization for one species.
name | Name of the species | |
index | The 'update' method will update the property values for this species at position i index in the property arrays. | |
type | int flag specifying the type of parameterization to be installed. | |
c | vector of coefficients for the parameterization. This vector is simply passed through to the parameterization constructor. | |
minTemp | minimum temperature for which this parameterization is valid. | |
maxTemp | maximum temperature for which this parameterization is valid. | |
refPressure | standard-state pressure for this parameterization. |
Implemented in GeneralSpeciesThermo, and SpeciesThermoDuo< T1, T2 >.
virtual void install | ( | string | name, | |
int | index, | |||
int | type, | |||
const doublereal * | c, | |||
doublereal | minTemp, | |||
doublereal | maxTemp, | |||
doublereal | refPressure | |||
) | [inline, virtual] |
install a new species thermodynamic property parameterization for one species.
name | Name of the species | |
index | The 'update' method will update the property values for this species at position i index in the property arrays. | |
type | int flag specifying the type of parameterization to be installed. | |
c | vector of coefficients for the parameterization.
| |
minTemp | minimum temperature for which this parameterization is valid. | |
maxTemp | maximum temperature for which this parameterization is valid. | |
refPressure | standard-state pressure for this parameterization. |
Definition at line 158 of file NasaThermo.h.
References NasaThermo::checkContinuity(), Cantera::fp2str(), NasaThermo::m_group_map, NasaThermo::m_high, NasaThermo::m_index, NasaThermo::m_low, NasaThermo::m_name, NasaThermo::m_ngroups, NasaThermo::m_p0, NasaThermo::m_posInGroup_map, NasaThermo::m_thigh, NasaThermo::m_thigh_min, NasaThermo::m_tlow, NasaThermo::m_tlow_max, NasaThermo::m_tmid, and Cantera::writelog().
virtual void install_STIT | ( | SpeciesThermoInterpType * | stit_ptr | ) | [inline, virtual] |
Install a new species thermodynamic property parameterization for one species.
stit_ptr | Pointer to the SpeciesThermoInterpType object This will set up the thermo for one species |
Implements SpeciesThermo.
Definition at line 227 of file NasaThermo.h.
virtual doublereal maxTemp | ( | int | k = -1 |
) | const [inline, virtual] |
Maximum temperature.
If no argument is supplied, this method returns the maximum temperature for which all parameterizations are valid. If an integer index k is supplied, then the value returned is the maximum temperature for parameterization k.
k | Species index |
Implements SpeciesThermo.
Definition at line 339 of file NasaThermo.h.
References NasaThermo::m_thigh, and NasaThermo::m_thigh_min.
virtual doublereal minTemp | ( | int | k = -1 |
) | const [inline, virtual] |
Minimum temperature.
If no argument is supplied, this method returns the minimum temperature for which all parameterizations are valid. If an integer index k is supplied, then the value returned is the minimum temperature for species k in the phase.
k | Species index |
Implements SpeciesThermo.
Definition at line 322 of file NasaThermo.h.
References NasaThermo::m_tlow, and NasaThermo::m_tlow_max.
virtual void modifyParams | ( | int | index, | |
doublereal * | c | |||
) | [inline, virtual] |
Modify parameters for the standard state.
This utility function modifies the array of coefficients. The array is the same as that returned by reportParams, so a call can first be made to reportParams to populate the array, and then modifyParams can be called to alter selected values. For the NASA object, there are 15 coefficients.
index | Species index | |
c | Vector of coefficients used to set the parameters for the standard state. |
Implements SpeciesThermo.
Definition at line 437 of file NasaThermo.h.
References NasaThermo::checkContinuity(), NasaThermo::m_group_map, NasaThermo::m_high, NasaThermo::m_low, NasaThermo::m_name, NasaThermo::m_posInGroup_map, NasaPoly1::maxTemp(), NasaPoly1::modifyParameters(), NASA, and NasaThermo::reportType().
NasaThermo& operator= | ( | const NasaThermo & | right | ) | [inline] |
Assignment operator.
right | NasaThermo object to be copied. |
Definition at line 94 of file NasaThermo.h.
References NasaThermo::m_group_map, NasaThermo::m_high, NasaThermo::m_index, NasaThermo::m_low, NasaThermo::m_name, NasaThermo::m_ngroups, NasaThermo::m_p0, NasaThermo::m_posInGroup_map, NasaThermo::m_t, NasaThermo::m_thigh, NasaThermo::m_thigh_min, NasaThermo::m_tlow, NasaThermo::m_tlow_max, and NasaThermo::m_tmid.
Referenced by NasaThermo::NasaThermo().
virtual doublereal refPressure | ( | int | k = -1 |
) | const [inline, virtual] |
The reference-state pressure for species k.
returns the reference state pressure in Pascals for species k. If k is left out of the argument list, it returns the reference state pressure for the first species. Note that some SpeciesThermo implementations, such as those for ideal gases, require that all species in the same phase have the same reference state pressures.
k | Species index |
Implements SpeciesThermo.
Definition at line 359 of file NasaThermo.h.
References NasaThermo::m_p0.
virtual void reportParams | ( | int | index, | |
int & | type, | |||
doublereal *const | c, | |||
doublereal & | minTemp, | |||
doublereal & | maxTemp, | |||
doublereal & | refPressure | |||
) | const [inline, virtual] |
This utility function reports back the type of parameterization and all of the parameters for the species, index.
index | Species index | |
type | Integer type of the standard type | |
c | Vector of coefficients used to set the parameters for the standard state. For the NASA object, there are 15 coefficients. | |
minTemp | output - Minimum temperature | |
maxTemp | output - Maximum temperature | |
refPressure | output - reference pressure (Pa). |
Implements SpeciesThermo.
Definition at line 385 of file NasaThermo.h.
References NasaThermo::m_group_map, NasaThermo::m_high, NasaThermo::m_low, NasaThermo::m_posInGroup_map, NasaPoly1::maxTemp(), NASA, NASA1, NasaPoly1::reportParameters(), and NasaThermo::reportType().
virtual int reportType | ( | int | index | ) | const [inline, virtual] |
This utility function reports the type of parameterization used for the species with index number index.
index | Species index |
Implements SpeciesThermo.
Definition at line 369 of file NasaThermo.h.
References NASA.
Referenced by NasaThermo::modifyParams(), and NasaThermo::reportParams().
virtual void update | ( | doublereal | t, | |
doublereal * | cp_R, | |||
doublereal * | h_RT, | |||
doublereal * | s_R | |||
) | const [inline, virtual] |
Compute the reference-state properties for all 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, Pref of each of the standard states.
t | 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). |
Implements SpeciesThermo.
Definition at line 284 of file NasaThermo.h.
References NasaThermo::m_high, NasaThermo::m_low, NasaThermo::m_ngroups, NasaThermo::m_t, and NasaThermo::m_tmid.
virtual void update_one | ( | int | k, | |
doublereal | t, | |||
doublereal * | cp_R, | |||
doublereal * | h_RT, | |||
doublereal * | s_R | |||
) | const [inline, virtual] |
Like update(), but only updates the single species k.
k | species index | |
t | 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 SpeciesThermo.
Definition at line 244 of file NasaThermo.h.
References NasaThermo::m_group_map, NasaThermo::m_high, NasaThermo::m_low, NasaThermo::m_posInGroup_map, NasaThermo::m_t, NasaPoly1::maxTemp(), and NasaPoly1::updateProperties().
const int ID |
Initialized to the type of parameterization.
Note, this value is used in some template functions
Definition at line 63 of file NasaThermo.h.
map<int, int> m_group_map [mutable, protected] |
This map takes as its index, the species index in the phase. It returns the group index, where the temperature polynomials for that species are stored. group indecises start at 1, so a decrement is always performed to access vectors.
Definition at line 570 of file NasaThermo.h.
Referenced by NasaThermo::install(), NasaThermo::modifyParams(), NasaThermo::operator=(), NasaThermo::reportParams(), and NasaThermo::update_one().
Vector of vector of NasaPoly1's for the high temp region.
This is the high temp region representation. The first Length is equal to the number of groups. The second vector is equal to the number of species in that particular group.
Definition at line 511 of file NasaThermo.h.
Referenced by NasaThermo::install(), NasaThermo::modifyParams(), NasaThermo::operator=(), NasaThermo::reportParams(), NasaThermo::update(), and NasaThermo::update_one().
map<int, int> m_index [protected] |
Map between the midpoint temperature, as an int, to the group number.
Length is equal to the number of groups. Only used in the setup.
Definition at line 526 of file NasaThermo.h.
Referenced by NasaThermo::install(), and NasaThermo::operator=().
Vector of vector of NasaPoly1's for the low temp region.
This is the low temp region representation. The first Length is equal to the number of groups. The second vector is equal to the number of species in that particular group.
Definition at line 520 of file NasaThermo.h.
Referenced by NasaThermo::install(), NasaThermo::modifyParams(), NasaThermo::operator=(), NasaThermo::reportParams(), NasaThermo::update(), and NasaThermo::update_one().
map<int, string> m_name [mutable, protected] |
Species name as a function of the species index.
Definition at line 580 of file NasaThermo.h.
Referenced by NasaThermo::install(), NasaThermo::modifyParams(), and NasaThermo::operator=().
int m_ngroups [protected] |
number of groups
Definition at line 559 of file NasaThermo.h.
Referenced by NasaThermo::install(), NasaThermo::operator=(), and NasaThermo::update().
doublereal m_p0 [protected] |
Reference pressure (Pa).
all species must have the same reference pressure.
Definition at line 556 of file NasaThermo.h.
Referenced by NasaThermo::install(), NasaThermo::operator=(), and NasaThermo::refPressure().
map<int, int> m_posInGroup_map [mutable, protected] |
This map takes as its index, the species index in the phase. It returns the position index within the group, where the temperature polynomials for that species are storred.
Definition at line 577 of file NasaThermo.h.
Referenced by NasaThermo::install(), NasaThermo::modifyParams(), NasaThermo::operator=(), NasaThermo::reportParams(), and NasaThermo::update_one().
vector_fp m_t [mutable, protected] |
Vector of temperature polynomials.
Definition at line 562 of file NasaThermo.h.
Referenced by NasaThermo::NasaThermo(), NasaThermo::operator=(), NasaThermo::update(), and NasaThermo::update_one().
vector_fp m_thigh [protected] |
Vector of low temperature limits (species index).
Length is equal to number of species
Definition at line 550 of file NasaThermo.h.
Referenced by NasaThermo::install(), NasaThermo::maxTemp(), and NasaThermo::operator=().
doublereal m_thigh_min [protected] |
Minimum value of the high temperature limit.
Definition at line 538 of file NasaThermo.h.
Referenced by NasaThermo::install(), NasaThermo::maxTemp(), and NasaThermo::operator=().
vector_fp m_tlow [protected] |
Vector of low temperature limits (species index).
Length is equal to number of species
Definition at line 544 of file NasaThermo.h.
Referenced by NasaThermo::install(), NasaThermo::minTemp(), and NasaThermo::operator=().
doublereal m_tlow_max [protected] |
Maximum value of the low temperature limit.
Definition at line 535 of file NasaThermo.h.
Referenced by NasaThermo::install(), NasaThermo::minTemp(), and NasaThermo::operator=().
vector_fp m_tmid [protected] |
Vector of log temperature limits.
Length is equal to the number of groups.
Definition at line 532 of file NasaThermo.h.
Referenced by NasaThermo::install(), NasaThermo::operator=(), and NasaThermo::update().