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Cantera
3.1.0a1
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Cantera
3.1.0a1
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A class template for interface reaction rate specifications. More...
#include <InterfaceRate.h>
A class template for interface reaction rate specifications.
Definition at line 364 of file InterfaceRate.h.
Public Member Functions | |
| InterfaceRate (const AnyMap &node, const UnitStack &rate_units) | |
| Constructor based on AnyMap content. More... | |
| InterfaceRate (const AnyMap &node) | |
| unique_ptr< MultiRateBase > | newMultiRate () const override |
| const string | type () const override |
| Identifier of reaction rate type. More... | |
| void | setParameters (const AnyMap &node, const UnitStack &rate_units) override |
| void | getParameters (AnyMap &node) const override |
| void | setContext (const Reaction &rxn, const Kinetics &kin) override |
| void | updateFromStruct (const DataType &shared_data) |
| Update reaction rate parameters. More... | |
| double | evalFromStruct (const DataType &shared_data) const |
| Evaluate reaction rate. More... | |
| double | ddTScaledFromStruct (const DataType &shared_data) const |
| Evaluate derivative of reaction rate with respect to temperature divided by reaction rate. More... | |
| double | preExponentialFactor () const override |
| double | activationEnergy () const override |
| void | addCoverageDependence (const string &sp, double a, double m, const vector< double > &e) override |
| 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. More... | |
 Public Member Functions inherited from InterfaceRateBase | |
| void | setParameters (const AnyMap &node) |
| Perform object setup based on AnyMap node information. More... | |
| void | getParameters (AnyMap &node) const |
| Store parameters needed to reconstruct an identical object. More... | |
| void | setCoverageDependencies (const AnyMap &dependencies, const UnitSystem &units=UnitSystem()) |
| Set coverage dependencies based on AnyMap node information. More... | |
| void | getCoverageDependencies (AnyMap &dependencies) const |
| Store parameters needed to reconstruct coverage dependencies. More... | |
| bool | exchangeCurrentDensityFormulation () |
| Boolean indicating whether rate uses exchange current density formulation. More... | |
| void | setContext (const Reaction &rxn, const Kinetics &kin) |
| Build rate-specific parameters based on Reaction and Kinetics context. More... | |
| void | setSpecies (const vector< string > &species) |
Set association with an ordered list of all species associated with a given Kinetics object. More... | |
| void | updateFromStruct (const InterfaceData &shared_data) |
| Update reaction rate parameters. More... | |
| double | voltageCorrection () const |
| Calculate modifications for the forward reaction rate for interfacial charge transfer reactions. More... | |
| bool | usesElectrochemistry () |
| Boolean indicating whether rate uses electrochemistry. More... | |
| double | beta () const |
| Return the charge transfer beta parameter. More... | |
| double | siteDensity () const |
| Return site density [kmol/m^2]. More... | |
| void | setSiteDensity (double siteDensity) |
| Set site density [kmol/m^2]. More... | |
Additional Inherited Members | |
| Protected Attributes inherited from InterfaceRateBase | |
| double | m_siteDensity |
| Site density [kmol/m^2]. More... | |
| double | m_acov |
| Coverage contribution to pre-exponential factor. More... | |
| double | m_ecov |
| Coverage contribution to activation energy. More... | |
| double | m_mcov |
| Coverage term in reaction rate. More... | |
| bool | m_chargeTransfer |
| Boolean indicating use of electrochemistry. More... | |
| bool | m_exchangeCurrentDensityFormulation |
| double | m_beta |
| Electrochemistry only. More... | |
| double | m_deltaPotential_RT |
| Normalized electric potential energy change. More... | |
| double | m_deltaGibbs0_RT |
| Normalized standard state Gibbs free energy change. More... | |
| double | m_prodStandardConcentrations |
| Products of standard concentrations. More... | |
| 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. More... | |
| vector< string > | m_cov |
| Vector holding names of coverage species. More... | |
| vector< double > | m_ac |
| Vector holding coverage-specific exponential dependence. More... | |
| 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. More... | |
| vector< bool > | m_lindep |
| Vector holding boolean for linear dependence. More... | |
| vector< double > | m_mc |
| Vector holding coverage-specific power-law exponents. More... | |
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inline |
Constructor based on AnyMap content.
Definition at line 373 of file InterfaceRate.h.
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inlineoverride |
Identifier of reaction rate type.
Definition at line 385 of file InterfaceRate.h.
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inline |
Update reaction rate parameters.
| shared_data | data shared by all reactions of a given type |
Definition at line 407 of file InterfaceRate.h.
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inline |
Evaluate reaction rate.
| shared_data | data shared by all reactions of a given type |
Definition at line 416 of file InterfaceRate.h.
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inline |
Evaluate derivative of reaction rate with respect to temperature divided by reaction rate.
| shared_data | data shared by all reactions of a given type |
Definition at line 428 of file InterfaceRate.h.
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inlineoverridevirtual |
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.
Reimplemented from InterfaceRateBase.
Definition at line 441 of file InterfaceRate.h.
1.9.1