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Analytical resolution of a parallel second‐order reaction mechanism
Author(s) -
Croce A. E.,
Mogni L. V.,
Irrazábal C. Vicente
Publication year - 2003
Publication title -
international journal of chemical kinetics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.341
H-Index - 68
eISSN - 1097-4601
pISSN - 0538-8066
DOI - 10.1002/kin.10126
Subject(s) - chemistry , disproportionation , order (exchange) , resolution (logic) , image (mathematics) , combustion , reaction mechanism , radical , computational chemistry , organic chemistry , finance , artificial intelligence , computer science , economics , catalysis
The competition among the three different elementary second‐order processes involving the radicals A and B, 123is frequently established in many combustion and atmospheric chemistry systems. The analytical resolution of the above mechanism for k AB = 2 k AA and k AB = 2 k BB , that is, for a cross‐combination ratio ϕ = k AB /( k AA k BB ) 1/2 = 2, is well‐known, but it has been claimed not to exist for ϕ ≠ 2. In the present paper an analytical resolution of the system (1)–(3), performed under the condition k AB ≠ 2 k AA and k AB ≠ 2 k BB , leads toThe mathematical procedure leading to this equation and the equation itself are valid independently of the nature of the products of the reactions ( 1), ( 2) and ( 3), that is, recombination or disproportionation products, provided that the reactants and the order of the reactions remain the same. The comparison with numerical integration for exemplary cases is performed. The solutions for the particular cases k AB ≠ 2 k BB or k AB ≠ 2 k AA are also presented. © 2003 Wiley Periodicals, Inc. Int J Chem Kinet 35: 246–251, 2003