Cantera 2.6.0

Public Member Functions | List of all members
Arrhenius2 Class Referencefinal

Arrhenius reaction rate type depends only on temperature. More...

`#include <RxnRates.h>`

Inheritance diagram for Arrhenius2:
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Collaboration diagram for Arrhenius2:
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## Public Member Functions
| Arrhenius2 ()
| Default constructor. More...
| Arrhenius2 (doublereal A, doublereal b, doublereal E)
| Constructor. More...
| Arrhenius2 (const AnyValue &rate, const UnitSystem &units, const Units &rate_units)
| Constructor based on AnyMap content. More...
| Arrhenius2 (const ArrheniusRate &other)
| Converting constructor (to facilitate back-ward compatibility) More...
void | setRateParameters (const AnyValue &rate, const UnitSystem &units, const Units &rate_units)
void | getParameters (AnyMap &node, const Units &rate_units) const
| Return parameters - two-parameter version. More...
void | update_C (const doublereal *c)
| Update concentration-dependent parts of the rate coefficient. More...
doublereal | updateLog (doublereal logT, doublereal recipT) const
| Update the value of the natural logarithm of the rate constant. More...
doublereal | updateRC (doublereal logT, doublereal recipT) const
| Update the value the rate constant. More...
virtual const std::string | type () const override
| String identifying reaction rate specialization. More...
double | activationEnergy_R () const
| Return the activation energy divided by the gas constant (that is, the activation temperature) [K]. More...
Public Member Functions inherited from ArrheniusRate
unique_ptr< MultiRateBase > | newMultiRate () const override
| Create a rate evaluator for reactions of a particular derived type. More...
virtual const std::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
| Return parameters. More...
virtual void | setParameters (const AnyMap &node, const UnitStack &rate_units) override
| Set parameters. More...
virtual void | getParameters (AnyMap &node) const override
| Get parameters. More...
virtual void | check (const std::string &equation, const AnyMap &node) override
| Check rate expression. More...
virtual void | validate (const std::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...
const Units & | rateUnits () const
double | order () const
| Return reaction order associated with the reaction rate. More...
void | setRateUnits (const UnitStack &rate_units)
| 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 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 ArrheniusBase
bool | m_negativeA_ok
| Flag indicating whether negative A values are permitted. More...
double | m_A
| Pre-exponential factor. More...
double | m_b
| Temperature exponent. More...
double | m_Ea_R
| Activation energy (in temperature units) More...
double | m_E4_R
| Optional 4th energy parameter (in temperature units) More...
double | m_logA
| Logarithm of pre-exponential factor. More...
double | m_order
| Reaction order. More...
std::string | m_A_str = "A"
| The string for temperature exponent. More...
std::string | m_b_str = "b"
| The string for temperature exponent. More...
std::string | m_Ea_str = "Ea"
| The string for activation energy. More...
std::string | m_E4_str = ""
| The string for an optional 4th parameter. More...
Units | m_rate_units
| Reaction rate units. 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

Arrhenius reaction rate type depends only on temperature.

A reaction rate coefficient of the following form.

\[ k_f = A T^b \exp (-E/RT) \]

Deprecated:
  To be removed after Cantera 2.6. See ArrheniusRate.

Definition at line 41 of file RxnRates.h.

## Constructor & Destructor Documentation

## ◆ Arrhenius2() [1/4]

Arrhenius2 | ( |  | ) |

Default constructor.

Definition at line 11 of file RxnRates.cpp.

References ArrheniusBase::m_A, ArrheniusBase::m_b, and ArrheniusBase::m_logA.

## ◆ Arrhenius2() [2/4]

Arrhenius2 | ( | doublereal | A,
|  | doublereal | b,
|  | doublereal | E
| ) |  |

Constructor.

Parameters

  A | pre-exponential. The unit system is (kmol, m, s). The actual units depend on the reaction order and the dimensionality (surface or bulk).
  b | Temperature exponent. Non-dimensional.
  E | Activation energy in temperature units. Kelvin.

Todo:
  Add deprecation warning pointing out change of activation energy units.

Definition at line 19 of file RxnRates.cpp.

## ◆ Arrhenius2() [3/4]

Arrhenius2 | ( | const AnyValue & | rate,
|  | const UnitSystem & | units,
|  | const Units & | rate_units
| ) |  |

Constructor based on AnyMap content.

Definition at line 27 of file RxnRates.cpp.

## ◆ Arrhenius2() [4/4]

Arrhenius2 | ( | const ArrheniusRate & | other | ) |

Converting constructor (to facilitate back-ward compatibility)

Definition at line 33 of file RxnRates.cpp.

## Member Function Documentation

## ◆ setRateParameters()

void setRateParameters | ( | const AnyValue & | rate,
|  | const UnitSystem & | units,
|  | const Units & | rate_units
| ) |  |

Definition at line 40 of file RxnRates.cpp.

## ◆ getParameters()

void getParameters | ( | AnyMap & | node,
|  | const Units & | rate_units
| ) |  | const

Return parameters - two-parameter version.

Definition at line 50 of file RxnRates.cpp.

References Units::factor(), ArrheniusBase::m_A, ArrheniusBase::m_b, ArrheniusBase::m_Ea_R, ArrheniusBase::preExponentialFactor(), and AnyMap::setFlowStyle().

Referenced by ElementaryReaction2::getParameters(), and FalloffReaction2::getParameters().

## ◆ update_C()

void update_C | ( | const doublereal * | c | ) |
| inline

Update concentration-dependent parts of the rate coefficient.

For this class, there are no concentration-dependent parts, so this method does nothing.

Definition at line 78 of file RxnRates.h.

## ◆ updateLog()

doublereal updateLog | ( | doublereal | logT,
|  | doublereal | recipT
| ) |  | const
| inline

Update the value of the natural logarithm of the rate constant.

Definition at line 84 of file RxnRates.h.

References ArrheniusBase::m_b, ArrheniusBase::m_Ea_R, and ArrheniusBase::m_logA.

## ◆ updateRC()

doublereal updateRC | ( | doublereal | logT,
|  | doublereal | recipT
| ) |  | const
| inline

Update the value the rate constant.

This function returns the actual value of the rate constant. It can be safely called for negative values of the pre-exponential factor.

Definition at line 94 of file RxnRates.h.

References ArrheniusBase::m_A, ArrheniusBase::m_b, and ArrheniusBase::m_Ea_R.

## ◆ type()

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

String identifying reaction rate specialization.

Reimplemented from ArrheniusRate.

Definition at line 98 of file RxnRates.h.

## ◆ activationEnergy_R()

double activationEnergy_R | ( |  | ) | const
| inline

Return the activation energy divided by the gas constant (that is, the activation temperature) [K].

Definition at line 104 of file RxnRates.h.

References ArrheniusBase::m_Ea_R.

Referenced by InterfaceKinetics::buildSurfaceArrhenius().

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

- RxnRates.h
- RxnRates.cpp