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Cantera
3.1.0a1
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Cantera
3.1.0a1
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Arrhenius reaction rate type depends only on temperature. More...
#include <Arrhenius.h>
Arrhenius reaction rate type depends only on temperature.
A reaction rate coefficient of the following form.
\[ k_f = A T^b \exp (-Ea/RT) \]
Definition at line 169 of file Arrhenius.h.
Public Member Functions | |
| unique_ptr< MultiRateBase > | newMultiRate () const override |
| Create a rate evaluator for reactions of a particular derived type. More... | |
| const string | type () const override |
| String identifying reaction rate specialization. More... | |
| double | evalRate (double logT, double recipT) const |
| Evaluate reaction rate. More... | |
| double | evalLog (double logT, double recipT) const |
| Evaluate natural logarithm of the rate constant. More... | |
| double | evalFromStruct (const ArrheniusData &shared_data) const |
| Evaluate reaction rate. More... | |
| double | ddTScaledFromStruct (const ArrheniusData &shared_data) const |
| Evaluate derivative of reaction rate with respect to temperature divided by reaction rate. More... | |
| ArrheniusBase () | |
| Default constructor. More... | |
| ArrheniusBase (double A, double b, double Ea) | |
| Constructor. More... | |
| ArrheniusBase (const AnyValue &rate, const UnitSystem &units, const UnitStack &rate_units) | |
| Constructor based on AnyValue content. More... | |
| ArrheniusBase (const AnyMap &node, const UnitStack &rate_units={}) | |
 Public Member Functions inherited from ArrheniusBase | |
| ArrheniusBase () | |
| Default constructor. More... | |
| ArrheniusBase (double A, double b, double Ea) | |
| Constructor. More... | |
| ArrheniusBase (const AnyValue &rate, const UnitSystem &units, const UnitStack &rate_units) | |
| Constructor based on AnyValue content. More... | |
| ArrheniusBase (const AnyMap &node, const UnitStack &rate_units={}) | |
| void | setRateParameters (const AnyValue &rate, const UnitSystem &units, const UnitStack &rate_units) |
| Perform object setup based on AnyValue node information. More... | |
| void | getRateParameters (AnyMap &node) const |
Get Arrhenius parameters used to populate the rate-coefficient or equivalent field. More... | |
| void | setParameters (const AnyMap &node, const UnitStack &rate_units) override |
| Set parameters. More... | |
| void | getParameters (AnyMap &node) const override |
| Get parameters. More... | |
| void | check (const string &equation) override |
| Check rate expression. More... | |
| void | validate (const string &equation, const Kinetics &kin) override |
| Validate the reaction rate expression. More... | |
| virtual double | preExponentialFactor () const |
| Return the pre-exponential factor A (in m, kmol, s to powers depending on the reaction order) More... | |
| virtual double | temperatureExponent () const |
| Return the temperature exponent b More... | |
| virtual double | activationEnergy () const |
| Return the activation energy Ea [J/kmol] The value corresponds to the constant specified by input parameters;. More... | |
| double | order () const |
| Return reaction order associated with the reaction rate. More... | |
| void | setRateUnits (const UnitStack &rate_units) override |
| Set units of the reaction rate expression. More... | |
| bool | allowNegativePreExponentialFactor () const |
| Get flag indicating whether negative A values are permitted. More... | |
| void | setAllowNegativePreExponentialFactor (bool value) |
| Set flag indicating whether negative A values are permitted. More... | |
| Public Member Functions inherited from ReactionRate | |
| ReactionRate (const ReactionRate &other) | |
| ReactionRate & | operator= (const ReactionRate &other) |
| virtual const string | subType () const |
| String identifying sub-type of reaction rate specialization. More... | |
| AnyMap | parameters () const |
| Return the parameters such that an identical Reaction could be reconstructed using the newReaction() function. More... | |
| const Units & | conversionUnits () const |
| Get the units for converting the leading term in the reaction rate expression. More... | |
| size_t | rateIndex () const |
| Reaction rate index within kinetics evaluator. More... | |
| void | setRateIndex (size_t idx) |
| Set reaction rate index within kinetics evaluator. More... | |
| virtual void | setContext (const Reaction &rxn, const Kinetics &kin) |
| Set context of reaction rate evaluation. More... | |
| double | eval (double T) |
| Evaluate reaction rate based on temperature. More... | |
| double | eval (double T, double extra) |
| Evaluate reaction rate based on temperature and an extra parameter. More... | |
| double | eval (double T, const vector< double > &extra) |
| Evaluate reaction rate based on temperature and an extra vector parameter. More... | |
| bool | valid () const |
| Get flag indicating whether reaction rate is set up correctly. More... | |
| bool | compositionDependent () |
| Boolean indicating whether rate has compositional dependence. More... | |
| void | setCompositionDependence (bool comp_dep) |
| Set rate compositional dependence. More... | |
Additional Inherited Members | |
| Protected Attributes inherited from ArrheniusBase | |
| bool | m_negativeA_ok = false |
| Permissible negative A values. More... | |
| double | m_A = NAN |
| Pre-exponential factor. More... | |
| double | m_b = NAN |
| Temperature exponent. More... | |
| double | m_Ea_R = 0. |
| Activation energy (in temperature units) More... | |
| double | m_E4_R = 0. |
| Optional 4th energy parameter (in temperature units) More... | |
| double | m_logA = NAN |
| Logarithm of pre-exponential factor. More... | |
| double | m_order = NAN |
| Reaction order. More... | |
| string | m_A_str = "A" |
| The string for the pre-exponential factor. More... | |
| string | m_b_str = "b" |
| The string for temperature exponent. More... | |
| string | m_Ea_str = "Ea" |
| The string for activation energy. More... | |
| string | m_E4_str = "" |
| The string for an optional 4th parameter. More... | |
| Protected Attributes inherited from ReactionRate | |
| AnyMap | m_input |
| Input data used for specific models. More... | |
| size_t | m_rate_index = npos |
| Index of reaction rate within kinetics evaluator. More... | |
| bool | m_valid = false |
| Flag indicating whether reaction rate is set up correctly. More... | |
| bool | m_composition_dependent_rate = false |
| Flag indicating composition dependent rate. More... | |
| Units | m_conversion_units {0.} |
| Units of the leading term in the reaction rate expression. More... | |
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inlineoverridevirtual |
Create a rate evaluator for reactions of a particular derived type.
Derived classes usually implement this as:
where RateType is the derived class name and DataType is the corresponding container for parameters needed to evaluate reactions of that type.
Reimplemented from ReactionRate.
Definition at line 174 of file Arrhenius.h.
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inlineoverridevirtual |
String identifying reaction rate specialization.
Implements ReactionRate.
Definition at line 178 of file Arrhenius.h.
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inline |
Evaluate reaction rate.
Definition at line 183 of file Arrhenius.h.
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inline |
Evaluate natural logarithm of the rate constant.
Definition at line 188 of file Arrhenius.h.
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inline |
Evaluate reaction rate.
| shared_data | data shared by all reactions of a given type |
Definition at line 196 of file Arrhenius.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 205 of file Arrhenius.h.
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inline |
Default constructor.
Definition at line 47 of file Arrhenius.h.
Constructor.
| A | Pre-exponential factor. The unit system is (kmol, m, s); actual units depend on the reaction order and the dimensionality (surface or bulk). |
| b | Temperature exponent (non-dimensional) |
| Ea | Activation energy in energy units [J/kmol] |
Definition at line 56 of file Arrhenius.cpp.
Constructor based on AnyValue content.
Definition at line 59 of file Arrhenius.cpp.
1.9.1