Cantera 2.6.0

reaction_defs.h
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1/**
2 * @file reaction_defs.h
3 * This file defines some constants used to specify reaction types.
4 *
5 * @deprecated To be removed after Cantera 2.6.
6 */
7
8// This file is part of Cantera. See License.txt in the top-level directory or
9// at https://cantera.org/license.txt for license and copyright information.
10
11#ifndef CT_RXN_DEFS_H
12#define CT_RXN_DEFS_H
13
14#include "cantera/base/ct_defs.h"
15
16 namespace Cantera
17{
18
19 const int INVALID_RXN = 0;
20 const int NONE = 0;
21
22/// @name Reaction Types
23
24//! @{
25
26//! A reaction with a rate coefficient that depends only on temperature and voltage
27//! that also obeys mass-action kinetics.
28/*!
29 * Here mass-action kinetics is defined as the reaction orders being equal to
30 * the reaction's stoichiometry.
31 *
32 * temperature. Example: O + OH <-> O2 + H
33 */
34 const int ELEMENTARY_RXN = 1;
35
36/**
37 * A gas-phase reaction that requires a third-body collision partner. Example:
38 * O2 + M <-> O + O + M
39 */
40 const int THREE_BODY_RXN = 2;
41
42/**
43 * The general form for a gas-phase association or dissociation reaction, with a
44 * pressure-dependent rate. Example: CH3 + H (+M) <-> CH4 (+M)
45 */
46 const int FALLOFF_RXN = 4;
47
48/**
49 * A pressure-dependent rate expression consisting of several Arrhenius rate
50 * expressions evaluated at different pressures. The final rate is calculated
51 * by logarithmically interpolating between the two rates that bracket the
52 * current pressure.
53 */
54 const int PLOG_RXN = 5;
55
56/**
57 * A general gas-phase pressure-dependent reaction where k(T,P) is defined in
58 * terms of a bivariate Chebyshev polynomial.
59 */
60 const int CHEBYSHEV_RXN = 6;
61
62/**
63 * A chemical activation reaction. For these reactions, the rate falls
64 * off as the pressure increases, due to collisional stabilization of
65 * a reaction intermediate. Example: Si + SiH4 (+M) <-> Si2H2 + H2
66 * (+M), which competes with Si + SiH4 (+M) <-> Si2H4 (+M).
67 */
68 const int CHEMACT_RXN = 8;
69
70/**
71 * A reaction occurring on a surface.
72 * NOTE: This is a bit ambiguous, and will be taken out in the future
73 * The dimensionality of the interface is a separate concept from the type
74 * of the reaction.
75 */
76 const int SURFACE_RXN = 20;
77
78//! A reaction occurring on an interface, e.g a surface or edge.
79 const int INTERFACE_RXN = 20;
80
81//! @}
82}
83
84#endif
ct_defs.h
This file contains definitions of constants, types and terms that are used in internal routines and a...
Cantera
Namespace for the Cantera kernel.
Definition: AnyMap.cpp:557
Cantera::CHEBYSHEV_RXN
const int CHEBYSHEV_RXN
A general gas-phase pressure-dependent reaction where k(T,P) is defined in terms of a bivariate Cheby...
Definition: reaction_defs.h:60
Cantera::PLOG_RXN
const int PLOG_RXN
A pressure-dependent rate expression consisting of several Arrhenius rate expressions evaluated at di...
Definition: reaction_defs.h:54
Cantera::SURFACE_RXN
const int SURFACE_RXN
A reaction occurring on a surface.
Definition: reaction_defs.h:76
Cantera::THREE_BODY_RXN
const int THREE_BODY_RXN
A gas-phase reaction that requires a third-body collision partner.
Definition: reaction_defs.h:40
Cantera::ELEMENTARY_RXN
const int ELEMENTARY_RXN
A reaction with a rate coefficient that depends only on temperature and voltage that also obeys mass-...
Definition: reaction_defs.h:34
Cantera::INTERFACE_RXN
const int INTERFACE_RXN
A reaction occurring on an interface, e.g a surface or edge.
Definition: reaction_defs.h:79
Cantera::CHEMACT_RXN
const int CHEMACT_RXN
A chemical activation reaction.
Definition: reaction_defs.h:68
Cantera::FALLOFF_RXN
const int FALLOFF_RXN
The general form for a gas-phase association or dissociation reaction, with a pressure-dependent rate...
Definition: reaction_defs.h:46