This 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.

中文翻译：

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硫酸氧化锆催化乙酸与正戊醇的酯化反应动力学

这项研究报告的实验数据，并用乙酸酯化的动力学模型Ñ戊醇，使用硫酸化氧化锆作为催化剂。反应在等温，充分混合的间歇式反应器中，不同温度（50-80°C），正戊醇与酸的摩尔比（1：1-3：1）和催化剂负载量（5-10 wt％in与乙酸总量的关系）。考虑到假均相，Eley-Rideal和Langmuir-Hinshelwood模型方法，评估了有关多相催化的反应机理。将反应混合物视为非理想溶液，并使用UNIQUAC热力学模型考虑了液相中的非理想性。获得的结果表明，温度的升高和催化剂负载量的增加会增加产物的形成，而正戊醇与乙酸的摩尔比的变化则没有显着影响。该反应的估计焓为-8。^-1，表明有轻微放热反应。Eley-Rideal模型（其中乙酸被吸附在催化剂上作为限制步骤）被认为是最重要的反应机理。