Arrhenius.h Source File#
Arrhenius.h
Go to the documentation of this file.
Header for unit conversion utilities, which are used to translate user input from input files (See In...
A map of string keys to values whose type can vary at runtime.
Definition AnyMap.h:427
A wrapper for a variable whose type is determined at runtime.
Definition AnyMap.h:86
void setAllowNegativePreExponentialFactor(bool value)
Set flag indicating whether negative A values are permitted.
Definition Arrhenius.h:141
void setParameters(const AnyMap &node, const UnitStack &rate_units) override
Set parameters.
Definition Arrhenius.cpp:100
virtual double temperatureExponent() const
Return the temperature exponent b
Definition Arrhenius.h:106
void getRateParameters(AnyMap &node) const
Get Arrhenius parameters used to populate the rate-coefficient or equivalent field.
Definition Arrhenius.cpp:76
void validate(const string &equation, const Kinetics &kin) override
Validate the reaction rate expression.
Definition Arrhenius.cpp:138
virtual double activationEnergy() const
Return the activation energy Ea [J/kmol] The value corresponds to the constant specified by input par...
Definition Arrhenius.h:116
void setRateParameters(const AnyValue &rate, const UnitSystem &units, const UnitStack &rate_units)
Perform object setup based on AnyValue node information.
Definition Arrhenius.cpp:35
bool allowNegativePreExponentialFactor() const
Get flag indicating whether negative A values are permitted.
Definition Arrhenius.h:136
virtual double preExponentialFactor() const
Return the pre-exponential factor A (in m, kmol, s to powers depending on the reaction order)
Definition Arrhenius.h:97
void setRateUnits(const UnitStack &rate_units) override
Set units of the reaction rate expression.
Definition Arrhenius.h:126
double order() const
Return reaction order associated with the reaction rate.
Definition Arrhenius.h:121
Arrhenius reaction rate type depends only on temperature.
Definition Arrhenius.h:170
unique_ptr< MultiRateBase > newMultiRate() const override
Create a rate evaluator for reactions of a particular derived type.
Definition Arrhenius.h:174
double evalLog(double logT, double recipT) const
Evaluate natural logarithm of the rate constant.
Definition Arrhenius.h:188
double ddTScaledFromStruct(const ArrheniusData &shared_data) const
Evaluate derivative of reaction rate with respect to temperature divided by reaction rate.
Definition Arrhenius.h:205
const string type() const override
String identifying reaction rate specialization.
Definition Arrhenius.h:178
double evalFromStruct(const ArrheniusData &shared_data) const
Evaluate reaction rate.
Definition Arrhenius.h:196
Abstract base class for reaction rate definitions; this base class is used by user-facing APIs to acc...
Definition ReactionRate.h:49
virtual void setRateUnits(const UnitStack &rate_units)
Set the units of the reaction rate expression.
Definition ReactionRate.h:132
Base class for a phase with thermodynamic properties.
Definition ThermoPhase.h:390
double dimension(const string &primary) const
Return dimension of primary unit component ("mass", "length", "time", "temperature",...
Definition Units.cpp:303
This file contains definitions of constants, types and terms that are used in internal routines and a...
Data container holding shared data specific to ArrheniusRate.
Definition Arrhenius.h:30
bool update(const ThermoPhase &phase, const Kinetics &kin) override
Update data container based on thermodynamic phase state.
Definition Arrhenius.cpp:146
Data container holding shared data used for ReactionRate calculation.
Definition ReactionData.h:27
virtual void update(double T)
Update data container based on temperature T
Definition ReactionData.h:36
Generated by 1.9.7