StickingCoverage Class Reference#
Base class for rate parameterizations that implement sticking coefficients. More...
#include <InterfaceRate.h>
Detailed Description
Base class for rate parameterizations that implement sticking coefficients.
The StickingCoverage class enhances Coverage to accommodate sticking coefficients.
Definition at line 267 of file InterfaceRate.h.
Public Member Functions | |
void | setStickingParameters (const AnyMap &node) |
Perform object setup based on AnyMap node information. | |
void | getStickingParameters (AnyMap &node) const |
Store parameters needed to reconstruct an identical object. | |
bool | motzWiseCorrection () const |
Get flag indicating whether sticking rate uses the correction factor developed by Motz & Wise for reactions with high (near-unity) sticking coefficients. | |
void | setMotzWiseCorrection (bool motz_wise) |
Set flag for Motz & Wise correction factor. | |
string | stickingSpecies () const |
Get sticking species. | |
void | setStickingSpecies (const string &stickingSpecies) |
Set sticking species. | |
double | stickingOrder () |
Get exponent applied to site density (sticking order) | |
void | setStickingOrder (double order) |
Set exponent applied to site density (sticking order) | |
double | stickingWeight () |
Get the molecular weight of the sticking species. | |
void | setStickingWeight (double weight) |
Set the molecular weight of the sticking species. | |
void | setContext (const Reaction &rxn, const Kinetics &kin) |
Build rate-specific parameters based on Reaction and Kinetics context. | |
Public Member Functions inherited from InterfaceRateBase | |
void | setParameters (const AnyMap &node) |
Perform object setup based on AnyMap node information. | |
void | getParameters (AnyMap &node) const |
Store parameters needed to reconstruct an identical object. | |
void | setCoverageDependencies (const AnyMap &dependencies, const UnitSystem &units=UnitSystem()) |
Set coverage dependencies based on AnyMap node information. | |
void | getCoverageDependencies (AnyMap &dependencies) const |
Store parameters needed to reconstruct coverage dependencies. | |
virtual void | addCoverageDependence (const string &sp, double a, double m, const vector< double > &e) |
Add a coverage dependency for species sp, with exponential dependence a, power-law exponent m, and activation energy dependence e, where e is in Kelvin, that is, energy divided by the molar gas constant. | |
bool | exchangeCurrentDensityFormulation () |
Boolean indicating whether rate uses exchange current density formulation. | |
void | setContext (const Reaction &rxn, const Kinetics &kin) |
Build rate-specific parameters based on Reaction and Kinetics context. | |
void | setSpecies (const vector< string > &species) |
Set association with an ordered list of all species associated with a given Kinetics object. | |
void | updateFromStruct (const InterfaceData &shared_data) |
Update reaction rate parameters. | |
double | voltageCorrection () const |
Calculate modifications for the forward reaction rate for interfacial charge transfer reactions. | |
bool | usesElectrochemistry () |
Boolean indicating whether rate uses electrochemistry. | |
double | beta () const |
Return the charge transfer beta parameter. | |
double | siteDensity () const |
Return site density [kmol/m^2]. | |
void | setSiteDensity (double siteDensity) |
Set site density [kmol/m^2]. | |
Protected Attributes | |
bool | m_motzWise |
boolean indicating whether Motz & Wise correction is used | |
bool | m_explicitMotzWise |
Correction cannot be overriden by default. | |
string | m_stickingSpecies |
string identifying sticking species | |
bool | m_explicitSpecies |
Boolean flag. | |
double | m_surfaceOrder |
exponent applied to site density term | |
double | m_multiplier |
multiplicative factor in rate expression | |
double | m_factor |
cached factor | |
Protected Attributes inherited from InterfaceRateBase | |
double | m_siteDensity |
Site density [kmol/m^2]. | |
double | m_acov |
Coverage contribution to pre-exponential factor. | |
double | m_ecov |
Coverage contribution to activation energy. | |
double | m_mcov |
Coverage term in reaction rate. | |
bool | m_chargeTransfer |
Boolean indicating use of electrochemistry. | |
bool | m_exchangeCurrentDensityFormulation |
double | m_beta |
Electrochemistry only. | |
double | m_deltaPotential_RT |
Normalized electric potential energy change. | |
double | m_deltaGibbs0_RT |
Normalized standard state Gibbs free energy change. | |
double | m_prodStandardConcentrations |
Products of standard concentrations. | |
map< size_t, size_t > | m_indices |
Map from coverage dependencies stored in this object to the index of the coverage species in the Kinetics object. | |
vector< string > | m_cov |
Vector holding names of coverage species. | |
vector< double > | m_ac |
Vector holding coverage-specific exponential dependence. | |
vector< vector< double > > | m_ec |
Vector holding coverage-specific activation energy dependence as a 5-membered array of polynomial coeffcients starting from 0th-order to 4th-order coefficients. | |
vector< bool > | m_lindep |
Vector holding boolean for linear dependence. | |
vector< double > | m_mc |
Vector holding coverage-specific power-law exponents. | |
Constructor & Destructor Documentation
◆ StickingCoverage()
StickingCoverage | ( | ) |
Definition at line 305 of file InterfaceRate.cpp.
Member Function Documentation
◆ setStickingParameters()
void setStickingParameters | ( | const AnyMap & | node | ) |
Perform object setup based on AnyMap node information.
- Parameters
-
node Sticking coefficient parameters
Definition at line 316 of file InterfaceRate.cpp.
◆ getStickingParameters()
void getStickingParameters | ( | AnyMap & | node | ) | const |
Store parameters needed to reconstruct an identical object.
- Parameters
-
node Sticking coefficient parameters
Definition at line 324 of file InterfaceRate.cpp.
◆ motzWiseCorrection()
|
inline |
Get flag indicating whether sticking rate uses the correction factor developed by Motz & Wise for reactions with high (near-unity) sticking coefficients.
Defaults to 'false'.
Definition at line 283 of file InterfaceRate.h.
◆ setMotzWiseCorrection()
|
inline |
Set flag for Motz & Wise correction factor.
Definition at line 288 of file InterfaceRate.h.
◆ stickingSpecies()
|
inline |
Get sticking species.
Definition at line 294 of file InterfaceRate.h.
◆ setStickingSpecies()
|
inline |
Set sticking species.
For reactions with multiple non-surface species, the sticking species needs to be explicitly identified. Note that species have to be specified prior to adding a reaction to a Kinetics object.
Definition at line 304 of file InterfaceRate.h.
◆ stickingOrder()
|
inline |
Get exponent applied to site density (sticking order)
Definition at line 310 of file InterfaceRate.h.
◆ setStickingOrder()
|
inline |
Set exponent applied to site density (sticking order)
- Note
- This method is used for internal testing purposes only as the value is determined automatically by setContext.
- Warning
- This method is an experimental part of the Cantera API and may be changed or removed without notice.
Definition at line 322 of file InterfaceRate.h.
◆ stickingWeight()
|
inline |
Get the molecular weight of the sticking species.
Definition at line 327 of file InterfaceRate.h.
◆ setStickingWeight()
|
inline |
Set the molecular weight of the sticking species.
- Note
- This method is used for internal testing purposes only as the value is determined automatically by setContext.
- Warning
- This method is an experimental part of the Cantera API and may be changed or removed without notice.
Definition at line 339 of file InterfaceRate.h.
◆ setContext()
Build rate-specific parameters based on Reaction and Kinetics context.
- Parameters
-
rxn Reaction associated with the sticking coefficient kin Kinetics object associated with the sticking coefficient Parameters can be accessed using the method stickingSpecies, stickingOrder and stickingWeight.
Definition at line 334 of file InterfaceRate.cpp.
Member Data Documentation
◆ m_motzWise
|
protected |
boolean indicating whether Motz & Wise correction is used
Definition at line 351 of file InterfaceRate.h.
◆ m_explicitMotzWise
|
protected |
Correction cannot be overriden by default.
Definition at line 352 of file InterfaceRate.h.
◆ m_stickingSpecies
|
protected |
string identifying sticking species
Definition at line 353 of file InterfaceRate.h.
◆ m_explicitSpecies
|
protected |
Boolean flag.
Definition at line 354 of file InterfaceRate.h.
◆ m_surfaceOrder
|
protected |
exponent applied to site density term
Definition at line 355 of file InterfaceRate.h.
◆ m_multiplier
|
protected |
multiplicative factor in rate expression
Definition at line 356 of file InterfaceRate.h.
◆ m_factor
|
protected |
cached factor
Definition at line 357 of file InterfaceRate.h.
The documentation for this class was generated from the following files:
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