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 = 8:37 · 10-2exp[1024:5/T(K)], and the corresponding thermodynamic parameters, ΔH298K0 = -8517:68 ± 227:61 J/mol and ΔS298K0 = -20:62 ± 0:74 J/(mol · K). Additionally, the standard enthalpy and Gibbs free energy of DEB formation were also calculated, as -517:2 · 103 and -234:4 · 103 J/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 = 2:18 · 108exp[-5686:2/T(K)] and Ks;D = 1:16 · 10-4exp[3517:44=T(K)]. This acetalization reaction presents activation energy of 47 275:07 ± 2570:39 J/mol.