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Cantera
3.1.0a1
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Cantera
3.1.0a1
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The Lindemann falloff parameterization. More...
#include <Falloff.h>
The Lindemann falloff parameterization.
This class implements the trivial falloff function F = 1.0 [20].
Public Member Functions | |
| LindemannRate (const AnyMap &node, const UnitStack &rate_units={}) | |
| LindemannRate (const ArrheniusRate &low, const ArrheniusRate &high, const vector< double > &c) | |
| unique_ptr< MultiRateBase > | newMultiRate () const override |
| Create a rate evaluator for reactions of a particular derived type. More... | |
| const string | subType () const override |
| String identifying sub-type of reaction rate specialization. More... | |
 Public Member Functions inherited from FalloffRate | |
| FalloffRate (const AnyMap &node, const UnitStack &rate_units={}) | |
| virtual void | setFalloffCoeffs (const vector< double > &c) |
| Set coefficients of the falloff parameterization. More... | |
| virtual void | getFalloffCoeffs (vector< double > &c) const |
| Retrieve coefficients of the falloff parameterization. More... | |
| virtual void | updateTemp (double T, double *work) const |
| Update the temperature-dependent portions of the falloff function, if any, and store them in the 'work' array. More... | |
| virtual double | F (double pr, const double *work) const |
| The falloff function. More... | |
| double | evalF (double T, double conc3b) |
| Evaluate falloff function at current conditions. More... | |
| const string | type () const override |
| String identifying reaction rate specialization. More... | |
| virtual size_t | nParameters () const |
| Returns the number of parameters used by this parameterization. More... | |
| void | setParameters (const AnyMap &node, const UnitStack &rate_units) override |
| Set parameters. More... | |
| void | getParameters (AnyMap &node) const override |
| Get parameters. More... | |
| double | evalFromStruct (const FalloffData &shared_data) |
| Evaluate reaction rate. More... | |
| void | check (const string &equation) override |
| Check basic syntax and settings of reaction rate expression. More... | |
| void | validate (const string &equation, const Kinetics &kin) override |
| Validate 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... | |
| bool | chemicallyActivated () const |
| Get flag indicating whether reaction is chemically activated. More... | |
| void | setChemicallyActivated (bool activated) |
| Set flag indicating whether reaction is chemically activated. More... | |
| ArrheniusRate & | lowRate () |
| Get reaction rate in the low-pressure limit. More... | |
| void | setLowRate (const ArrheniusRate &low) |
| Set reaction rate in the low-pressure limit. More... | |
| ArrheniusRate & | highRate () |
| Get reaction rate in the high-pressure limit. More... | |
| void | setHighRate (const ArrheniusRate &high) |
| Set reaction rate in the high-pressure limit. More... | |
| Public Member Functions inherited from ReactionRate | |
| ReactionRate (const ReactionRate &other) | |
| ReactionRate & | operator= (const ReactionRate &other) |
| 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... | |
| virtual void | setRateUnits (const UnitStack &rate_units) |
| Set the units of 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 FalloffRate | |
| ArrheniusRate | m_lowRate |
| The reaction rate in the low-pressure limit. More... | |
| ArrheniusRate | m_highRate |
| The reaction rate in the high-pressure limit. More... | |
| bool | m_chemicallyActivated = false |
| Flag labeling reaction as chemically activated. More... | |
| bool | m_negativeA_ok = false |
| Flag indicating whether negative A values are permitted. More... | |
| double | m_rc_low = NAN |
| Evaluated reaction rate in the low-pressure limit. More... | |
| double | m_rc_high = NAN |
| Evaluated reaction rate in the high-pressure limit. More... | |
| vector< double > | m_work |
| Work vector. 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.
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inlineoverridevirtual |
String identifying sub-type of reaction rate specialization.
Reimplemented from ReactionRate.
1.9.1