The analytical resolution of parallel first‐ and second‐order reaction mechanisms |
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| Authors: | N. B. Caballero A. E. Croce E. Pensa C. Vicente Irrazábal |
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| Affiliation: | 1. Departamento de Química, Facultad de Ciencias Exactas y Naturales, Universidad Nacional de Asunción, Campus Universitario, San Lorenzo, Paraguay;2. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas (INIFTA), Departamento de Química, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, CCT La Plata‐CONICET, Casilla de Correo 16, Sucursal 4, (1900) La Plata, Argentina |
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| Abstract: | Given the species A1 and A2, the competition among the three different elementary processes  (1)  (2)  (3) is 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, [A2]0 and [A1]0, and nonzero reaction rate coefficients k1, k2, and k3, leads to the equation [A1] = ((δ[A2]γ ? [A2])/β) ? α, where α = k1/2k3, γ = β + 1 = 2k3/k2, and δ = ([A2]0 + β[A1]0 + β α))/[A2]0γ. 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 |
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