INIFTA   05425
INSTITUTO DE INVESTIGACIONES FISICO-QUIMICAS TEORICAS Y APLICADAS
Unidad Ejecutora - UE
artículos
Título:
The analytical resolution of a parallel first and second order reactions mechanism
Autor/es:
N. CABALLERO; A. E. CROCE; E. PENSA; C. VICENTE IRRAZÁBAL
Revista:
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS
Editorial:
JOHN WILEY & SONS INC
Referencias:
Año: 2009
ISSN:
0538-8066
Resumen:
Given the species A1 and A2, the competition among the three different elementary processes, the competition among the three different elementary processes , the competition among the three different elementary processes A1 =Products (1);  A1 + A2 =Products (2); A1 + A1 =Products (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]=((delta.[A2]^gamma − [A2])/beta) − alfa, where alfa = k1/2k3, gamma = beta + 1 = 2k3/k2, and delta= ([A2]0 + beta[A1]0 + beta.alfa)/[A2]0^gamma. 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.