111 lines
2.7 KiB
C++
Executable file
111 lines
2.7 KiB
C++
Executable file
/**
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* @file reaction_defs.h
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* This file defines some constants used to specify reaction types.
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*/
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/*
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* $Author$
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* $Date$
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* $Revision$
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*
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*/
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// Copyright 2001 California Institute of Technology
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#ifndef CT_RXN_DEFS_H
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#define CT_RXN_DEFS_H
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#include "ct_defs.h"
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namespace Cantera {
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const int NONE = 0;
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/// @name Reaction Types
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//@{
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/**
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* A reaction with a rate coefficient that depends only on
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* temperature. Example: O + OH <-> O2 + H
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*/
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const int ELEMENTARY_RXN = 1;
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/**
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* A reaction that requires a third-body collision partner. Example:
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* O2 + M <-> O + O + M
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*/
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const int THREE_BODY_RXN = 2;
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/**
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* The general form for an association or dissociation reaction, with a
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* pressure-dependent rate. Example: CH3 + H (+M) <-> CH4 (+M)
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*/
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const int FALLOFF_RXN = 4;
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/**
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* A chemical activation reaction. For these reactions, the rate falls
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* off as the pressure increases, due to collisional stabilization of
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* a reaction intermediate. Example: Si + SiH4 (+M) <-> Si2H2 + H2
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* (+M), which competes with Si + SiH4 (+M) <-> Si2H4 (+M).
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* @todo Implement chemical activation reactions.
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*/
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const int CHEMACT_RXN = 8;
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/**
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* A reaction occurring on a surface.
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*/
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const int SURFACE_RXN = 20;
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/**
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* A reaction occurring at a one-dimensional interface between two
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* surface phases.
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*/
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const int EDGE_RXN = 22;
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/**
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* A global reaction. These may have non-integral reaction orders,
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* and are not allowed to be reversible.
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*/
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const int GLOBAL_RXN = 30;
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//@}
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/** @name Rate Coefficient Types
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* These types define the supported rate coefficient types for
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* elementary reactions. Any of these may also be used as the high and
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* low-pressure limits of falloff and chemical activation reactions.
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*
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* Note that not all of these are currently implemented!
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* @todo Finish implementing reaction rate types.
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*/
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//@{
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const int ARRHENIUS = 1;
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const int LANDAUTELLER = 2;
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const int TSTRATE = 3;
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const int SURF_ARRHENIUS = 4;
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const int ARRHENIUS_SUM = 5;
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//@}
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/** @name Falloff Function Types
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*/
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//@{
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const int SIMPLE_FALLOFF = 100;
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const int TROE3_FALLOFF = 110;
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const int TROE4_FALLOFF = 111;
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const int SRI3_FALLOFF = 112;
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const int SRI5_FALLOFF = 113;
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const int WF_FALLOFF = 114;
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//@}
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// error flags
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const int NO_ERROR = 0;
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const int UNKNOWN_REACTION_TYPE = -100;
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const int UNKNOWN_RATE_COEFF_TYPE = -200;
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const int NOT_YET_IMPLEMENTED = -300;
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}
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#endif
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