Cantera  3.1.0a1
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TwoTempPlasmaRate.h
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1//! @file TwoTempPlasmaRate.h Header for plasma reaction rates parameterized by two
2//! temperatures (gas and electron).
3
4// This file is part of Cantera. See License.txt in the top-level directory or
5// at https://cantera.org/license.txt for license and copyright information.
6
7#ifndef CT_TWOTEMPPLASMARATE_H
8#define CT_TWOTEMPPLASMARATE_H
9
10#include "Arrhenius.h"
11
12namespace Cantera
13{
14
15//! Data container holding shared data specific to TwoTempPlasmaRate
16/**
17 * The data container `TwoTempPlasmaData` holds precalculated data common to
18 * all `TwoTempPlasmaRate` objects.
19 */
21{
22 TwoTempPlasmaData() = default;
23
24 bool update(const ThermoPhase& phase, const Kinetics& kin) override;
25 void update(double T) override;
26 void update(double T, double Te) override;
28
29 virtual void updateTe(double Te);
30
31 void invalidateCache() override {
33 electronTemp = NAN;
34 }
35
36 double electronTemp = 1.0; //!< electron temperature
37 double logTe = 0.0; //!< logarithm of electron temperature
38 double recipTe = 1.0; //!< inverse of electron temperature
39};
40
41
42//! Two temperature plasma reaction rate type depends on both
43//! gas temperature and electron temperature.
44/*!
45 * The form of the two temperature plasma reaction rate coefficient is similar to an
46 * Arrhenius reaction rate coefficient. The temperature exponent (b) is applied to
47 * the electron temperature instead. In addition, the exponential term with
48 * activation energy for electron is included.
49 *
50 * @f[
51 * k_f = A T_e^b \exp (-E_{a,g}/RT) \exp (E_{a,e} (T_e - T)/(R T T_e))
52 * @f]
53 *
54 * where @f$ T_e @f$ is the electron temperature, @f$ E_{a,g} @f$ is the activation
55 * energy for gas, and @f$ E_{a,e} @f$ is the activation energy for electron, see
56 * Kossyi, et al. @cite kossyi1992.
57 *
58 * @ingroup arrheniusGroup
59 */
61{
62public:
64
65 //! Constructor.
66 /*!
67 * @param A Pre-exponential factor. The unit system is (kmol, m, s); actual units
68 * depend on the reaction order and the dimensionality (surface or bulk).
69 * @param b Temperature exponent (non-dimensional)
70 * @param Ea Activation energy in energy units [J/kmol]
71 * @param EE Activation electron energy in energy units [J/kmol]
72 */
73 TwoTempPlasmaRate(double A, double b, double Ea=0.0, double EE=0.0);
74
75 TwoTempPlasmaRate(const AnyMap& node, const UnitStack& rate_units={});
76
77 unique_ptr<MultiRateBase> newMultiRate() const override {
78 return make_unique<MultiRate<TwoTempPlasmaRate, TwoTempPlasmaData>>();
79 }
80
81 const string type() const override {
82 return "two-temperature-plasma";
83 }
84
85 void setContext(const Reaction& rxn, const Kinetics& kin) override;
86
87 //! Evaluate reaction rate
88 /*!
89 * @param shared_data data shared by all reactions of a given type
90 */
91 double evalFromStruct(const TwoTempPlasmaData& shared_data) const {
92 // m_E4_R is the electron activation (in temperature units)
93 return m_A * std::exp(m_b * shared_data.logTe -
94 m_Ea_R * shared_data.recipT +
95 m_E4_R * (shared_data.electronTemp - shared_data.temperature)
96 * shared_data.recipTe * shared_data.recipT);
97 }
98
99 //! Evaluate derivative of reaction rate with respect to temperature
100 //! divided by reaction rate
101 /*!
102 * This method does not consider changes of electron temperature.
103 * A corresponding warning is raised.
104 * @param shared_data data shared by all reactions of a given type
105 */
106 double ddTScaledFromStruct(const TwoTempPlasmaData& shared_data) const;
107
108 //! Return the electron activation energy *Ea* [J/kmol]
110 return m_E4_R * GasConstant;
111 }
112};
113
114}
115
116#endif
Header for reaction rates that involve Arrhenius-type kinetics.
A map of string keys to values whose type can vary at runtime.
Definition AnyMap.h:427
Base class for Arrhenius-type Parameterizations.
Definition Arrhenius.h:44
double m_E4_R
Optional 4th energy parameter (in temperature units)
Definition Arrhenius.h:150
double m_A
Pre-exponential factor.
Definition Arrhenius.h:147
double m_b
Temperature exponent.
Definition Arrhenius.h:148
double m_Ea_R
Activation energy (in temperature units)
Definition Arrhenius.h:149
Public interface for kinetics managers.
Definition Kinetics.h:125
Abstract base class which stores data about a reaction and its rate parameterization so that it can b...
Definition Reaction.h:25
Base class for a phase with thermodynamic properties.
Two temperature plasma reaction rate type depends on both gas temperature and electron temperature.
double evalFromStruct(const TwoTempPlasmaData &shared_data) const
Evaluate reaction rate.
void setContext(const Reaction &rxn, const Kinetics &kin) override
Set context of reaction rate evaluation.
unique_ptr< MultiRateBase > newMultiRate() const override
Create a rate evaluator for reactions of a particular derived type.
double ddTScaledFromStruct(const TwoTempPlasmaData &shared_data) const
Evaluate derivative of reaction rate with respect to temperature divided by reaction rate.
double activationElectronEnergy() const
Return the electron activation energy Ea [J/kmol].
const string type() const override
String identifying reaction rate specialization.
const double GasConstant
Universal Gas Constant [J/kmol/K].
Definition ct_defs.h:120
Namespace for the Cantera kernel.
Definition AnyMap.cpp:564
Data container holding shared data used for ReactionRate calculation.
double recipT
inverse of temperature
virtual void update(double T)
Update data container based on temperature T
double temperature
temperature
virtual void invalidateCache()
Force shared data and reaction rates to be updated next time.
Data container holding shared data specific to TwoTempPlasmaRate.
bool update(const ThermoPhase &phase, const Kinetics &kin) override
Update data container based on thermodynamic phase state.
double electronTemp
electron temperature
double logTe
logarithm of electron temperature
double recipTe
inverse of electron temperature
void invalidateCache() override
Force shared data and reaction rates to be updated next time.
Unit aggregation utility.
Definition Units.h:105