Cantera 2.6.0
Public Member Functions | Public Attributes | List of all members
InterfaceData Struct Reference

Data container holding shared data for reaction rate specification with interfaces. More...

#include <InterfaceRate.h>

Inheritance diagram for InterfaceData:
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Collaboration diagram for InterfaceData:
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Public Member Functions

virtual bool update (const ThermoPhase &bulk, const Kinetics &kin) override
 Update data container based on thermodynamic phase state. More...
 
virtual void update (double T) override
 Update data container based on temperature T More...
 
virtual void update (double T, const vector_fp &values) override
 Update data container based on temperature T and a vector parameter extra More...
 
virtual void perturbTemperature (double deltaT)
 
virtual void resize (size_t nSpecies, size_t nReactions, size_t nPhases) override
 Update number of species, reactions and phases. More...
 
virtual void update (double T) override
 Update data container based on temperature T More...
 
virtual bool update (const ThermoPhase &phase, const Kinetics &kin) override
 Update data container based on thermodynamic phase state. More...
 
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_fp &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
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
 square root of temperature More...
 
vector_fp coverages
 surface coverages More...
 
vector_fp logCoverages
 logarithm of surface coverages More...
 
vector_fp electricPotentials
 electric potentials of phases More...
 
vector_fp standardChemPotentials
 standard state chemical potentials More...
 
vector_fp standardConcentrations
 standard state concentrations More...
 
- Public Attributes inherited from BlowersMaselData
bool ready
 boolean indicating whether vectors are accessible More...
 
double density
 used to determine if updates are needed More...
 
vector_fp partialMolarEnthalpies
 partial molar enthalpies More...
 
- Public Attributes inherited from ReactionData
double temperature
 temperature More...
 
double logT
 logarithm of temperature More...
 
double recipT
 inverse of temperature More...
 

Additional Inherited Members

- Protected Attributes inherited from BlowersMaselData
int m_state_mf_number
 integer that is incremented when composition changes More...
 
- Protected Attributes inherited from ReactionData
double m_temperature_buf
 buffered temperature More...
 

Detailed Description

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 39 of file InterfaceRate.h.

Constructor & Destructor Documentation

◆ InterfaceData()

Definition at line 16 of file InterfaceRate.cpp.

Member Function Documentation

◆ update() [1/9]

bool update ( const ThermoPhase phase,
const Kinetics kin 
)
overridevirtual

Update data container based on thermodynamic phase state.

This update mechanism is used by Kinetics reaction rate evaluators.

Returns
A boolean element indicating whether the evalFromStruct method needs to be called (assuming previously-calculated values were cached)

Reimplemented from BlowersMaselData.

Definition at line 48 of file InterfaceRate.cpp.

References Kinetics::nPhases(), Phase::stateMFNumber(), and Kinetics::thermo().

◆ update() [2/9]

void update ( double  T)
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 21 of file InterfaceRate.cpp.

◆ update() [3/9]

void update ( double  T,
const vector_fp extra 
)
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.

Warning
This method is an experimental part of the Cantera API and may be changed or removed without notice.

Reimplemented from ReactionData.

Definition at line 27 of file InterfaceRate.cpp.

◆ perturbTemperature()

void perturbTemperature ( double  deltaT)
virtual

Definition at line 92 of file InterfaceRate.cpp.

◆ resize()

virtual void resize ( size_t  nSpecies,
size_t  nReactions,
size_t  nPhases 
)
inlineoverridevirtual

◆ update() [4/9]

void update ( double  T)
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 23 of file BlowersMaselRate.cpp.

◆ update() [5/9]

bool update ( const ThermoPhase phase,
const Kinetics kin 
)
overridevirtual

Update data container based on thermodynamic phase state.

This update mechanism is used by Kinetics reaction rate evaluators.

Returns
A boolean element indicating whether the evalFromStruct method needs to be called (assuming previously-calculated values were cached)

Reimplemented from BlowersMaselData.

Definition at line 24 of file BlowersMaselRate.cpp.

◆ update() [6/9]

virtual void update ( double  T)
inlinevirtual

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 25 of file ReactionData.h.

References ReactionData::logT, ReactionData::m_temperature_buf, ReactionData::recipT, and ReactionData::temperature.

◆ update() [7/9]

virtual void update ( double  T,
double  extra 
)
inlinevirtual

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.

Reimplemented from BlowersMaselData.

Definition at line 25 of file ReactionData.h.

◆ update() [8/9]

virtual void update ( double  T,
const vector_fp extra 
)
inlinevirtual

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.

Warning
This method is an experimental part of the Cantera API and may be changed or removed without notice.

Reimplemented from BlowersMaselData.

Definition at line 25 of file ReactionData.h.

◆ update() [9/9]

virtual bool update ( const ThermoPhase phase,
const Kinetics kin 
)
virtual

Update data container based on thermodynamic phase state.

This update mechanism is used by Kinetics reaction rate evaluators.

Returns
A boolean element indicating whether the evalFromStruct method needs to be called (assuming previously-calculated values were cached)

Reimplemented from BlowersMaselData.

Member Data Documentation

◆ sqrtT

double sqrtT

square root of temperature

Definition at line 63 of file InterfaceRate.h.

◆ coverages

vector_fp coverages

surface coverages

Definition at line 65 of file InterfaceRate.h.

Referenced by InterfaceData::resize(), and InterfaceRateBase::updateFromStruct().

◆ logCoverages

vector_fp logCoverages

logarithm of surface coverages

Definition at line 66 of file InterfaceRate.h.

Referenced by InterfaceData::resize(), and InterfaceRateBase::updateFromStruct().

◆ electricPotentials

vector_fp electricPotentials

electric potentials of phases

Definition at line 67 of file InterfaceRate.h.

Referenced by InterfaceData::resize(), and InterfaceRateBase::updateFromStruct().

◆ standardChemPotentials

vector_fp standardChemPotentials

standard state chemical potentials

Definition at line 68 of file InterfaceRate.h.

Referenced by InterfaceData::resize(), and InterfaceRateBase::updateFromStruct().

◆ standardConcentrations

vector_fp standardConcentrations

standard state concentrations

Definition at line 69 of file InterfaceRate.h.

Referenced by InterfaceData::resize(), and InterfaceRateBase::updateFromStruct().


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