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The analytical resolution of parallel first‐ and second‐order reaction mechanisms
Author(s) -
Caballero N. B.,
Croce A. E.,
Pensa E.,
Irrazábal C. Vicente
Publication year - 2010
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.20502
Subject(s) - chemistry , image (mathematics) , order (exchange) , rate equation , first order , resolution (logic) , ion , order of reaction , kinetics , mathematics , reaction rate constant , organic chemistry , physics , quantum mechanics , finance , artificial intelligence , computer science , economics
Given the species A 1 and A 2 , the competition among the three different elementary processes 123is frequently found in thermal and photochemical reaction systems. In the present paper, an analytical resolution of the system (1)–(3), performed under plausible contour conditions, namely, finite initial molar concentrations for both reactants, [A 2 ] 0 and [A 1 ] 0 , and nonzero reaction rate coefficients k 1 , k 2 , and k 3 , leads to the equation [A 1 ] = ((δ[A 2 ] γ − [A 2 ])/β) − α, where α = k 1 /2 k 3 , γ = β + 1 = 2 k 3 / k 2 , and δ = ([A 2 ] 0 + β[A 1 ] 0 + β α))/[A 2 ] 0 γ . The comparison with a numerical integration employing the fourth‐order Runge–Kutta algorithm for the well‐known case of the oxidation of organic compounds by ferrate ion is performed. © 2010 Wiley Periodicals, Inc. Int J Chem Kinet 42: 562–566, 2010