Esterification reaction kinetics of acetic acid and n‐pentanol catalyzed by sulfated zirconia

Abstract

AbstractThis study reports experimental data and kinetic modeling of acetic acid esterification with n‐pentanol using sulfated zirconia as a catalyst. Reactions were carried out in an isothermal well‐mixed batch reactor at different temperatures (50‐80°C), n‐pentanol to acid molar ratios (1:1‐3:1), and catalyst loadings (5‐10 wt% in relation to the total amount of acetic acid). The reaction mechanism regarding the heterogeneous catalysis was evaluated considering pseudo‐homogeneous, Eley–Rideal, and Langmuir–Hinshelwood model approaches. The reaction mixture was considered a nonideal solution and the UNIQUAC thermodynamic model was used to take into account the nonidealities in the liquid phase. The results obtained indicated that increases in the temperature and catalyst loading increased the product formation, while changes in the n‐pentanol to acetic acid molar ratio showed no significant effect. The estimated enthalpy of the reaction was −8.49 kJ mol−1, suggesting a slightly exothermic reaction. The Eley–Rideal model, with acetic acid adsorbed on the catalyst as the limiting step, was found to be the most significant reaction mechanism.