Base class for falloff rate calculators.
Each instance of a subclass of FalloffRate calculates the falloff reaction rate based on specific implementations of the falloff function.
The falloff function \( F(P_r, T) \) is implemented by FalloffRate specializations, and is defined so that the rate coefficient is
\[
k = k_\infty \frac{P_r}{1 + P_r} F(P_r,T)
\]
Here \( P_r \) is the reduced pressure, defined by
\[
P_r = \frac{k_0 [M]}{k_\infty}.
\]
Definition at line 82 of file Falloff.h.
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| | FalloffRate (const AnyMap &node, const UnitStack &rate_units={}) |
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| void | init (const vector< double > &c) |
| | Initialize.
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| virtual void | setFalloffCoeffs (const vector< double > &c) |
| | Set coefficients of the falloff parameterization.
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| virtual void | getFalloffCoeffs (vector< double > &c) const |
| | Retrieve coefficients of the falloff parameterization.
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| 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.
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| virtual double | F (double pr, const double *work) const |
| | The falloff function.
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| double | evalF (double T, double conc3b) |
| | Evaluate falloff function at current conditions.
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| virtual size_t | workSize () const |
| | The size of the work array required.
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| const string | type () const override |
| | String identifying reaction rate specialization.
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| virtual size_t | nParameters () const |
| | Returns the number of parameters used by this parameterization.
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| void | setParameters (const AnyMap &node, const UnitStack &rate_units) override |
| | Set parameters.
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| virtual void | getParameters (double *params) const |
| | Get the values of the parameters for this object.
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| void | getParameters (AnyMap &node) const override |
| | Get parameters.
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| double | evalFromStruct (const FalloffData &shared_data) |
| | Evaluate reaction rate.
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| void | check (const string &equation) override |
| | Check basic syntax and settings of reaction rate expression.
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| void | validate (const string &equation, const Kinetics &kin) override |
| | Validate the reaction rate expression.
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| bool | allowNegativePreExponentialFactor () const |
| | Get flag indicating whether negative A values are permitted.
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| void | setAllowNegativePreExponentialFactor (bool value) |
| | Set flag indicating whether negative A values are permitted.
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| bool | chemicallyActivated () const |
| | Get flag indicating whether reaction is chemically activated.
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| void | setChemicallyActivated (bool activated) |
| | Set flag indicating whether reaction is chemically activated.
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| ArrheniusRate & | lowRate () |
| | Get reaction rate in the low-pressure limit.
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| void | setLowRate (const ArrheniusRate &low) |
| | Set reaction rate in the low-pressure limit.
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| ArrheniusRate & | highRate () |
| | Get reaction rate in the high-pressure limit.
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| void | setHighRate (const ArrheniusRate &high) |
| | Set reaction rate in the high-pressure limit.
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| | ReactionRate (const ReactionRate &other) |
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| ReactionRate & | operator= (const ReactionRate &other) |
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| virtual unique_ptr< MultiRateBase > | newMultiRate () const |
| | Create a rate evaluator for reactions of a particular derived type.
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| virtual const string | type () const =0 |
| | String identifying reaction rate specialization.
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| virtual const string | subType () const |
| | String identifying sub-type of reaction rate specialization.
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| virtual void | setParameters (const AnyMap &node, const UnitStack &units) |
| | Set parameters.
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| AnyMap | parameters () const |
| | Return the parameters such that an identical Reaction could be reconstructed using the newReaction() function.
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| const Units & | conversionUnits () const |
| | Get the units for converting the leading term in the reaction rate expression.
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| virtual void | setRateUnits (const UnitStack &rate_units) |
| | Set the units of the reaction rate expression.
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| virtual void | check (const string &equation) |
| | Check basic syntax and settings of reaction rate expression.
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| void | check (const string &equation, const AnyMap &node) |
| | Check basic syntax and settings of reaction rate expression.
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| virtual void | validate (const string &equation, const Kinetics &kin) |
| | Validate the reaction rate expression.
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| virtual void | validate (const string &equation) |
| | Validate the reaction rate expression (legacy call)
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| size_t | rateIndex () const |
| | Reaction rate index within kinetics evaluator.
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| void | setRateIndex (size_t idx) |
| | Set reaction rate index within kinetics evaluator.
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| virtual void | setContext (const Reaction &rxn, const Kinetics &kin) |
| | Set context of reaction rate evaluation.
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| double | eval (double T) |
| | Evaluate reaction rate based on temperature.
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| double | eval (double T, double extra) |
| | Evaluate reaction rate based on temperature and an extra parameter.
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| double | eval (double T, const vector< double > &extra) |
| | Evaluate reaction rate based on temperature and an extra vector parameter.
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| bool | valid () const |
| | Get flag indicating whether reaction rate is set up correctly.
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| bool | compositionDependent () |
| | Boolean indicating whether rate has compositional dependence.
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| void | setCompositionDependence (bool comp_dep) |
| | Set rate compositional dependence.
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Public Member Functions inherited from ReactionRate
1.9.7