Cantera 2.6.0

Public Member Functions | List of all members
LindemannRate Class Referencefinal
Chemical Kinetics » Falloff Parameterizations

The Lindemann falloff parameterization. More...

`#include <Falloff.h>`

Inheritance diagram for LindemannRate:
[legend]
Collaboration diagram for LindemannRate:
[legend]

## Public Member Functions
| LindemannRate (const AnyMap &node, const UnitStack &rate_units={})
| LindemannRate (const ArrheniusRate &low, const ArrheniusRate &high, const vector_fp &c)
unique_ptr< MultiRateBase > | newMultiRate () const
| Create a rate evaluator for reactions of a particular derived type. More...
virtual const std::string | type () const
| String identifying reaction rate specialization. More...
Public Member Functions inherited from FalloffRate
| FalloffRate (const AnyMap &node, const UnitStack &rate_units={})
void | init (const vector_fp &c)
| Initialize. More...
virtual void | setFalloffCoeffs (const vector_fp &c)
| Set coefficients of the falloff parameterization. More...
virtual void | getFalloffCoeffs (vector_fp &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...
virtual size_t | workSize () const
| The size of the work array required. More...
virtual const std::string | type () const
| String identifying reaction rate specialization. More...
virtual size_t | nParameters () const
| Returns the number of parameters used by this parameterization. More...
virtual void | setParameters (const AnyMap &node, const UnitStack &rate_units)
| Set parameters. More...
virtual void | getParameters (double *params) const
| Get the values of the parameters for this object. More...
virtual void | getParameters (AnyMap &node) const
| Get parameters. More...
virtual double | evalFromStruct (const FalloffData &shared_data)
| Evaluate reaction rate. More...
void | check (const std::string &equation, const AnyMap &node)
| Check basic syntax and settings of reaction rate expression. More...
virtual void | validate (const std::string &equation, const Kinetics &kin)
| 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)
virtual unique_ptr< MultiRateBase > | newMultiRate () const
| Create a rate evaluator for reactions of a particular derived type. More...
virtual const std::string | type () const =0
| String identifying reaction rate specialization. More...
virtual void | setParameters (const AnyMap &node, const UnitStack &units)
| Set parameters. More...
AnyMap | parameters () const
| Return the parameters such that an identical Reaction could be reconstructed using the newReaction() function. More...
virtual void | check (const std::string &equation, const AnyMap &node)
| Check basic syntax and settings of reaction rate expression. More...
virtual void | validate (const std::string &equation, const Kinetics &kin)
| Validate the reaction rate expression. More...
virtual void | validate (const std::string &equation)
| Validate the reaction rate expression (legacy call) 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 std::vector< double > &extra)
| Evaluate reaction rate based on temperature and an extra vector parameter. More...

## Additional Inherited Members
virtual void | getParameters (AnyMap &node) const
| Get parameters. More...
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
| Flag labeling reaction as chemically activated. More...
bool | m_negativeA_ok
| Flag indicating whether negative A values are permitted. More...
double | m_rc_low
| Evaluated reaction rate in the low-pressure limit. More...
double | m_rc_high
| Evaluated reaction rate in the high-pressure limit. More...
vector_fp | 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
| Index of reaction rate within kinetics evaluator. More...

## Detailed Description

The Lindemann falloff parameterization.

This class implements the trivial falloff function F = 1.0.

Definition at line 275 of file Falloff.h.

## Constructor & Destructor Documentation

## ◆ LindemannRate() [1/2]

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

Definition at line 280 of file Falloff.h.

## ◆ LindemannRate() [2/2]

LindemannRate | ( | const ArrheniusRate & | low,
|  | const ArrheniusRate & | high,
|  | const vector_fp & | c
| ) |  |
| inline

Definition at line 286 of file Falloff.h.

## Member Function Documentation

## ◆ newMultiRate()

unique_ptr< MultiRateBase > newMultiRate | ( |  | ) | const
| inline 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 unique_ptr<MultiRateBase>(new MultiRate<RateType, DataType>);
Cantera::LindemannRate::newMultiRate
unique_ptr< MultiRateBase > newMultiRate() const
Create a rate evaluator for reactions of a particular derived type.
Definition: Falloff.h:295
Cantera::MultiRate
A class template handling ReactionRate specializations.
Definition: MultiRate.h:21

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 295 of file Falloff.h.

## ◆ type()

virtual const std::string type | ( |  | ) | const
| inline virtual

String identifying reaction rate specialization.

Reimplemented from FalloffRate.

Definition at line 300 of file Falloff.h.

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

- Falloff.h