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LindemannRate Class Referencefinal
Chemical Kinetics » Reactions and Reaction Rates » Falloff Parameterizations

The Lindemann falloff parameterization. More...

`#include <Falloff.h>`

Inheritance diagram for LindemannRate:
[legend]

## Detailed Description

The Lindemann falloff parameterization.

This class implements the trivial falloff function F = 1.0 [lindemann1922].

Definition at line 271 of file Falloff.h.

## 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.
const string | subType () const override
| String identifying sub-type of reaction rate specialization.
Public Member Functions inherited from FalloffRate
| FalloffRate (const AnyMap &node, const UnitStack &rate_units={})
void | init (const vector< double > &c)
| Initialize.
virtual void | setFalloffCoeffs (const vector< double > &c)
| Set coefficients of the falloff parameterization.
virtual void | getFalloffCoeffs (vector< double > &c) const
| Retrieve coefficients of the falloff parameterization.
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.
virtual double | F (double pr, const double *work) const
| The falloff function.
double | evalF (double T, double conc3b)
| Evaluate falloff function at current conditions.
virtual size_t | workSize () const
| The size of the work array required.
const string | type () const override
| String identifying reaction rate specialization.
virtual size_t | nParameters () const
| Returns the number of parameters used by this parameterization.
void | setParameters (const AnyMap &node, const UnitStack &rate_units) override
| Set parameters.
virtual void | getParameters (double *params) const
| Get the values of the parameters for this object.
void | getParameters (AnyMap &node) const override
| Get parameters.
double | evalFromStruct (const FalloffData &shared_data)
| Evaluate reaction rate.
void | check (const string &equation) override
| Check basic syntax and settings of reaction rate expression.
void | validate (const string &equation, const Kinetics &kin) override
| Validate the reaction rate expression.
bool | allowNegativePreExponentialFactor () const
| Get flag indicating whether negative A values are permitted.
void | setAllowNegativePreExponentialFactor (bool value)
| Set flag indicating whether negative A values are permitted.
bool | chemicallyActivated () const
| Get flag indicating whether reaction is chemically activated.
void | setChemicallyActivated (bool activated)
| Set flag indicating whether reaction is chemically activated.
ArrheniusRate & | lowRate ()
| Get reaction rate in the low-pressure limit.
void | setLowRate (const ArrheniusRate &low)
| Set reaction rate in the low-pressure limit.
ArrheniusRate & | highRate ()
| Get reaction rate in the high-pressure limit.
void | setHighRate (const ArrheniusRate &high)
| Set reaction rate in the high-pressure limit.
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.
const Units & | conversionUnits () const
| Get the units for converting the leading term in the reaction rate expression.
virtual void | setRateUnits (const UnitStack &rate_units)
| Set the units of the reaction rate expression.
void | check (const string &equation, const AnyMap &node)
| Check basic syntax and settings of reaction rate expression.
virtual void | validate (const string &equation)
| Validate the reaction rate expression (legacy call)
size_t | rateIndex () const
| Reaction rate index within kinetics evaluator.
void | setRateIndex (size_t idx)
| Set reaction rate index within kinetics evaluator.
virtual void | setContext (const Reaction &rxn, const Kinetics &kin)
| Set context of reaction rate evaluation.
double | eval (double T)
| Evaluate reaction rate based on temperature.
double | eval (double T, double extra)
| Evaluate reaction rate based on temperature and an extra parameter.
double | eval (double T, const vector< double > &extra)
| Evaluate reaction rate based on temperature and an extra vector parameter.
bool | valid () const
| Get flag indicating whether reaction rate is set up correctly.
bool | compositionDependent ()
| Boolean indicating whether rate has compositional dependence.
void | setCompositionDependence (bool comp_dep)
| Set rate compositional dependence.

## Additional Inherited Members
Protected Attributes inherited from FalloffRate
ArrheniusRate | m_lowRate
| The reaction rate in the low-pressure limit.
ArrheniusRate | m_highRate
| The reaction rate in the high-pressure limit.
bool | m_chemicallyActivated = false
| Flag labeling reaction as chemically activated.
bool | m_negativeA_ok = false
| Flag indicating whether negative A values are permitted.
double | m_rc_low = NAN
| Evaluated reaction rate in the low-pressure limit.
double | m_rc_high = NAN
| Evaluated reaction rate in the high-pressure limit.
vector< double > | m_work
| Work vector.
Protected Attributes inherited from ReactionRate
AnyMap | m_input
| Input data used for specific models.
size_t | m_rate_index = npos
| Index of reaction rate within kinetics evaluator.
bool | m_valid = false
| Flag indicating whether reaction rate is set up correctly.
bool | m_composition_dependent_rate = false
| Flag indicating composition dependent rate.
Units | m_conversion_units {0.}
| Units of the leading term in the reaction rate expression.

## Constructor & Destructor Documentation

## ◆ LindemannRate() [1/2]

LindemannRate | ( | const AnyMap & | node,
|  | const UnitStack & | rate_units = `{}`
| ) |  |

Definition at line 210 of file Falloff.cpp.

## ◆ LindemannRate() [2/2]

LindemannRate | ( | const ArrheniusRate & | low,
|  | const ArrheniusRate & | high,
|  | const vector< double > & | c
| ) |  |

Definition at line 216 of file Falloff.cpp.

## Member Function Documentation

## ◆ newMultiRate()

unique_ptr< MultiRateBase > newMultiRate | ( |  | ) | const
| inline override virtual

Create a rate evaluator for reactions of a particular derived type.

Derived classes usually implement this as:

unique_ptr<MultiRateBase> newMultiRate() const override {
return make_unique<MultiRate<RateType, DataType>>();
Cantera::LindemannRate::newMultiRate
unique_ptr< MultiRateBase > newMultiRate() const override
Create a rate evaluator for reactions of a particular derived type.
Definition Falloff.h:281

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 281 of file Falloff.h.

## ◆ subType()

const string subType | ( |  | ) | const
| inline override virtual

String identifying sub-type of reaction rate specialization.

Reimplemented from ReactionRate.

Definition at line 285 of file Falloff.h.

The documentation for this class was generated from the following files:

- Falloff.h
- Falloff.cpp