Cantera
3.1.0a1
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Data container holding shared data for reaction rate specification with interfaces. More...
#include <InterfaceRate.h>
Data container holding shared data for reaction rate specification with interfaces.
The data container InterfaceData holds precalculated data common to InterfaceRate and StickingRate objects.
The data container inherits from BlowersMaselData, where density is used to hold the site density [kmol/m^2].
Definition at line 29 of file InterfaceRate.h.
Public Member Functions | |
bool | update (const ThermoPhase &bulk, const Kinetics &kin) override |
Update data container based on thermodynamic phase state. More... | |
void | update (double T) override |
Update data container based on temperature T More... | |
void | update (double T, const vector< double > &values) override |
Update data container based on temperature T and a vector parameter extra More... | |
virtual void | perturbTemperature (double deltaT) |
void | resize (size_t nSpecies, size_t nReactions, size_t nPhases) override |
Update number of species, reactions and phases. More... | |
void | update (double T) override |
bool | update (const ThermoPhase &phase, const Kinetics &kin) override |
virtual void | update (double T) |
Update data container based on temperature T More... | |
virtual void | update (double T, double extra) |
Update data container based on temperature T and an extra parameter. More... | |
virtual void | update (double T, const vector< double > &extra) |
Update data container based on temperature T and a vector parameter extra More... | |
virtual bool | update (const ThermoPhase &phase, const Kinetics &kin)=0 |
Update data container based on thermodynamic phase state. More... | |
Public Member Functions inherited from BlowersMaselData | |
virtual void | update (double T) |
Update data container based on temperature T More... | |
virtual void | update (double T, double extra) |
Update data container based on temperature T and an extra parameter. More... | |
virtual void | update (double T, const vector< double > &extra) |
Update data container based on temperature T and a vector parameter extra More... | |
virtual bool | update (const ThermoPhase &phase, const Kinetics &kin)=0 |
Update data container based on thermodynamic phase state. More... | |
Public Member Functions inherited from ReactionData | |
virtual void | update (double T, double extra) |
Update data container based on temperature T and an extra parameter. More... | |
void | perturbTemperature (double deltaT) |
Perturb temperature of data container. More... | |
virtual void | restore () |
Restore data container after a perturbation. More... | |
virtual void | invalidateCache () |
Force shared data and reaction rates to be updated next time. More... | |
Public Attributes | |
double | sqrtT = NAN |
square root of temperature More... | |
vector< double > | coverages |
surface coverages More... | |
vector< double > | logCoverages |
logarithm of surface coverages More... | |
vector< double > | electricPotentials |
electric potentials of phases More... | |
vector< double > | standardChemPotentials |
standard state chemical potentials More... | |
vector< double > | standardConcentrations |
standard state concentrations More... | |
Public Attributes inherited from BlowersMaselData | |
bool | ready = false |
boolean indicating whether vectors are accessible More... | |
double | density = NAN |
used to determine if updates are needed More... | |
vector< double > | partialMolarEnthalpies |
partial molar enthalpies More... | |
Public Attributes inherited from ReactionData | |
double | temperature = 1.0 |
temperature More... | |
double | logT = 0.0 |
logarithm of temperature More... | |
double | recipT = 1.0 |
inverse of temperature More... | |
Additional Inherited Members | |
Protected Attributes inherited from BlowersMaselData | |
int | m_state_mf_number = -1 |
integer that is incremented when composition changes More... | |
Protected Attributes inherited from ReactionData | |
double | m_temperature_buf = -1.0 |
buffered temperature More... | |
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overridevirtual |
Update data container based on thermodynamic phase state.
This update mechanism is used by Kinetics reaction rate evaluators.
evalFromStruct
method needs to be called (assuming previously-calculated values were cached) Reimplemented from BlowersMaselData.
Definition at line 44 of file InterfaceRate.cpp.
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overridevirtual |
Update data container based on temperature T
Only used in conjunction with MultiRateBase::evalSingle / ReactionRate::eval. This method allows for testing of a reaction rate expression outside of Kinetics reaction rate evaluators.
Reimplemented from BlowersMaselData.
Definition at line 17 of file InterfaceRate.cpp.
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overridevirtual |
Update data container based on temperature T and a vector parameter extra
Only used in conjunction with MultiRateBase::evalSingle / ReactionRate::eval. This method allows for testing of a reaction rate expression outside of Kinetics reaction rate evaluators.
Reimplemented from ReactionData.
Definition at line 23 of file InterfaceRate.cpp.
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inlineoverridevirtual |
Update number of species, reactions and phases.
Reimplemented from BlowersMaselData.
Definition at line 43 of file InterfaceRate.h.
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inline |
Update data container based on temperature T
Only used in conjunction with MultiRateBase::evalSingle / ReactionRate::eval. This method allows for testing of a reaction rate expression outside of Kinetics reaction rate evaluators.
Definition at line 25 of file ReactionData.h.
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inline |
Update data container based on temperature T and an extra parameter.
Only used in conjunction with MultiRateBase::evalSingle / ReactionRate::eval. This method allows for testing of a reaction rate expression outside of Kinetics reaction rate evaluators.
Definition at line 25 of file ReactionData.h.
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inline |
Update data container based on temperature T and a vector parameter extra
Only used in conjunction with MultiRateBase::evalSingle / ReactionRate::eval. This method allows for testing of a reaction rate expression outside of Kinetics reaction rate evaluators.
Definition at line 25 of file ReactionData.h.
virtual bool update |
Update data container based on thermodynamic phase state.
This update mechanism is used by Kinetics reaction rate evaluators.
evalFromStruct
method needs to be called (assuming previously-calculated values were cached) double sqrtT = NAN |
square root of temperature
Definition at line 53 of file InterfaceRate.h.
vector<double> coverages |
surface coverages
Definition at line 55 of file InterfaceRate.h.
vector<double> logCoverages |
logarithm of surface coverages
Definition at line 56 of file InterfaceRate.h.
vector<double> electricPotentials |
electric potentials of phases
Definition at line 57 of file InterfaceRate.h.
vector<double> standardChemPotentials |
standard state chemical potentials
Definition at line 58 of file InterfaceRate.h.
vector<double> standardConcentrations |
standard state concentrations
Definition at line 59 of file InterfaceRate.h.