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...
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 | resize (size_t nSpecies, size_t nReactions, size_t nPhases) override
| Update number of species, reactions and phases. 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
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...
void | perturbTemperature (double deltaT)
| Perturb temperature of data container. More...
virtual void | restore ()
| Restore data container after a perturbation. More...
virtual void | resize (size_t nSpecies, size_t nReactions, size_t nPhases)
| Update number of species, reactions and phases. 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()

InterfaceData | ( |  | ) |

Definition at line 16 of file InterfaceRate.cpp.

## Member Function Documentation

## ◆ update() [1/9]

bool update | ( | const ThermoPhase & | phase,
|  | const Kinetics & | kin
| ) |  |
| override 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.

Definition at line 48 of file InterfaceRate.cpp.

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

## ◆ update() [2/9]

void update | ( | double | T | ) |
| override virtual

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
| ) |  |
| override virtual

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
| ) |  |
| inline override virtual

Update number of species, reactions and phases.

Reimplemented from BlowersMaselData.

Definition at line 53 of file InterfaceRate.h.

References InterfaceData::coverages, InterfaceData::electricPotentials, InterfaceData::logCoverages, BlowersMaselData::partialMolarEnthalpies, BlowersMaselData::ready, InterfaceData::standardChemPotentials, and InterfaceData::standardConcentrations.

## ◆ update() [4/9]

void update | ( | double | T | ) |
| override virtual

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
| ) |  |
| override 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.

Definition at line 24 of file BlowersMaselRate.cpp.

## ◆ update() [6/9]

virtual void update | ( | double | T | ) |
| inline virtual

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
| ) |  |
| inline virtual

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
| ) |  |
| inline virtual

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:

- InterfaceRate.h
- InterfaceRate.cpp