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Simulation and optimization of reactive distillation for the production of ethyl acetate using [BMIM]HSO4 as catalyst
Chemical Engineering Research and Design ( IF 3.9 ) Pub Date : 2020-01-22 , DOI: 10.1016/j.cherd.2020.01.014
Ruining He , Yanbo Dong , Yun Zou , Jinhe Zhao , Muhammad Yaseen , Chunxia Mu , Zhangfa Tong

This study explicates the preparation of ethyl acetate (EtOAc) via esterification of acetic acid and ethanol over brønsted acid ionic liquid (1-Butyl-3-methylimidazolium hydrogen sulfate, [BMIM]HSO4) as catalyst. The ideal homogeneous (IH) and non-ideal homogeneous (NIH) models were applied to describe reaction kinetics and the model parameters were obtained by data fitting, where NIH model showed higher accuracy and confirmed the higher catalytic efficiency of [BMIM]HSO4 than Amberlyst 15. A novel reactive distillation (RD) flow-sheet for EtOAc production using [BMIM]HSO4 was designed and performed by Aspen Plus, in which the obtained reaction kinetic equations were formulated in the setting module of RADFRAC block. The optimal conditions of catalyst dosage, plate number, feed position, feed molar ratio, liquid holdup and reflux ratio for RD process were obtained by taking the EtOAc concentration in product stream as objective function and was found with maximum content of 90.44 wt.% with less than 3 % deviation. Keeping the high yield and simple mechanization, this approach can provide a feasible RD process design for EtOAc production using [BMIM]HSO4 as high-activity catalyst and can be envisaged as an alternative route for the industrial production of EtOAc.



中文翻译:

以[BMIM] HSO 4为催化剂的反应精馏生产乙酸乙酯的模拟和优化

这项研究阐述了通过在布朗斯台德酸离子液体(1-丁基-3-甲基咪唑硫酸氢盐,[BMIM] HSO 4)上乙酸和乙醇酯化制备乙酸乙酯(EtOAc)的方法。应用理想均相(IH)模型和非理想均相(NIH)模型描述反应动力学,并通过数据拟合获得模型参数,其中NIH模型显示出更高的准确度并证实了[BMIM] HSO 4的催化效率高于Amberlyst 15.使用[BMIM] HSO 4生产EtOAc的新型反应蒸馏(RD)流程图由Aspen Plus设计和执行,在RADFRAC模块的设置模块中,将获得的反应动力学方程式公式化。以产物流中的EtOAc浓度为目标函数,确定了RD工艺的最佳催化剂用量,塔板数,进料位置,进料摩尔比,持液率和回流比的最佳条件,发现最大含量为90.44 wt。%。偏差小于3%。保持高收率和简单的机械化,这种方法可以为使用[BMIM] HSO 4作为高活性催化剂的EtOAc生产提供可行的RD工艺设计,并且可以设想为工业生产EtOAc的替代途径。

更新日期:2020-01-22
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