摘要：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.
