Thermodynamic and kinetic study of the production of oxygenated compounds: Synthesis of 1,1-diethoxybutane catalyzed by amberlyst-15

Abstract

The aim of the present work is a thermodynamic and kinetic study of the acetalization reaction between butyraldehyde and ethanol to produce the acetal 1,1-diethoxybutane (DEB). The reaction was catalyzed by the commercial ion-exchange resin Amberlyst-15. Through a study of the reaction thermodynamic equilibrium, it was possible to determine the equilibrium constant value as a function of temperature, Keq=8.3710-2exp[1024.5/T(K)], and the corresponding thermodynamic parameters, H298K0=-8517.68 +/- 227.61J/mol and S298K0=-20.62 +/- 0.74J/(mol<bold>K</bold>). Additionally, the standard enthalpy and Gibbs free energy of DEB formation were also calculated, as -517.2103 and -234.4103J/mol, respectively. A mathematical model considering mass-transfer limitations was used to simulate the batch reactor operation. The parameters estimated for the mathematical model were kc=2.18108exp[-5686.2/T(K)] and Ks,D=1.1610-4exp[3517.44/T(K)]. This acetalization reaction presents activation energy of 47275.07 +/- 2570.39J/mol.