混合醇酯化反应过程研究

Study on Reaction Process of Esterification of Mixed Alcohols

混合醇(C3-C5)作为工业副品,用精馏分离能耗大,应用性差,工业价值不大,通过酯化生产后,可制备溶解性十分优秀的混合溶剂乙酸混合酯。研究混合醇中各组分由于不同结构造成的反应性的差异,通过实验和理论计算分子电荷分布,反应能垒的方法分析不同结构醇分子与乙酸的反应过程。这对于工业上理解和优化混合酯的生产过程具有指导意义。

Mixed alcohols(C3-C5), as an industrial by-product, can be separated by distillation with high energy consumption, poor applicability and little industrial value. After esterification, mixed acetic ester with excellent solubility can be prepared. In this paper, the reactivity differences of different alcohols due to different structures were studied. The reaction process of different alcohols with acetic acid was analyzed by experimental data and theoretical calculation of molecular charge distribution and energy barrier. This has guiding significance for the industry to understand and optimize the process.