16 "This method does not update the change of reaction enthalpy.");
61 warn_user(
"BlowersMaselRate::ddTScaledFromStruct",
62 "Temperature derivative does not consider changes of reaction enthalpy.");
70 for (
const auto& [name, stoich] : rxn.
reactants) {
73 for (
const auto& [name, stoich] : rxn.
products) {
Header for Blowers-Masel reaction rates.
Base class for kinetics managers and also contains the kineticsmgr module documentation (see Kinetics...
Header file for class ThermoPhase, the base class for phases with thermodynamic properties,...
A map of string keys to values whose type can vary at runtime.
Base class for Arrhenius-type Parameterizations.
void setParameters(const AnyMap &node, const UnitStack &rate_units) override
Set parameters.
string m_E4_str
The string for an optional 4th parameter.
double m_E4_R
Optional 4th energy parameter (in temperature units)
string m_Ea_str
The string for activation energy.
double m_b
Temperature exponent.
Blowers Masel reaction rate type depends on the enthalpy of reaction.
void setContext(const Reaction &rxn, const Kinetics &kin) override
Set context of reaction rate evaluation.
vector< pair< size_t, double > > m_stoich_coeffs
Pairs of species indices and multipliers to calculate enthalpy change.
BlowersMaselRate()
Default constructor.
double effectiveActivationEnergy_R(double deltaH_R) const
Return the effective activation energy (a function of the delta H of reaction) divided by the gas con...
double m_deltaH_R
enthalpy change of reaction (in temperature units)
double ddTScaledFromStruct(const BlowersMaselData &shared_data) const
Evaluate derivative of reaction rate with respect to temperature divided by reaction rate.
Public interface for kinetics managers.
size_t kineticsSpeciesIndex(size_t k, size_t n) const
The location of species k of phase n in species arrays.
double temperature() const
Temperature (K).
virtual double density() const
Density (kg/m^3).
int stateMFNumber() const
Return the State Mole Fraction Number.
Abstract base class which stores data about a reaction and its rate parameterization so that it can b...
Composition products
Product species and stoichiometric coefficients.
Composition reactants
Reactant species and stoichiometric coefficients.
Base class for a phase with thermodynamic properties.
virtual void getPartialMolarEnthalpies(double *hbar) const
Returns an array of partial molar enthalpies for the species in the mixture.
const double GasConstant
Universal Gas Constant [J/kmol/K].
void warn_user(const string &method, const string &msg, const Args &... args)
Print a user warning raised from method as CanteraWarning.
Namespace for the Cantera kernel.
Data container holding shared data specific to BlowersMaselRate.
int m_state_mf_number
integer that is incremented when composition changes
vector< double > partialMolarEnthalpies
partial molar enthalpies
void update(double T) override
Update data container based on temperature T
double density
used to determine if updates are needed
double recipT
inverse of temperature
virtual void update(double T)
Update data container based on temperature T
double temperature
temperature
Unit aggregation utility.