Analysis of steric hindrance in the separation of ethanol–methyl acetate azeotropic mixture using deep eutectic solvents

IF 3.5 3区工程技术 Q2 ENGINEERING, CHEMICAL

AIChE Journal Pub Date : 2025-03-04 DOI:10.1002/aic.18808

Wenli Liu, Ruoyu Hu, Yu Wang, Yinglong Wang, Jingwei Yang, Guoxuan Li, Jianguang Qi

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引用次数: 0

Abstract

The separation of azeotropes is of great significance for improving product quality, optimizing production processes, and promoting the development of related technologies. This study used quaternary ammonium salt-based deep eutectic solvents (DESs) to separate azeotropic ethanol and methyl acetate mixtures. COSMO-RS software was used to facilitate the screening of the extractants. The best extractant was selected from 16 hydrogen bond acceptors and 38 hydrogen bond donors, and vapor–liquid equilibrium experiments were subsequently conducted for experimental verification. This experiment demonstrated that the separation of DESs synthesized from alcohol and quaternary ammonium salt chemicals is relatively practical, with the separation effect varying according to the diols employed as hydrogen bond donors. Concurrently, quantitative calculations were employed to conduct a microscopic analysis and elucidate the underlying mechanism of spatial hindrance on the separation performance of ethanol–methyl acetate.

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用深度共晶溶剂分离乙醇-乙酸甲酯共沸混合物时的位阻分析

共沸物的分离对提高产品质量、优化生产工艺、促进相关技术的发展具有重要意义。采用季铵盐基深度共晶溶剂（DESs）分离共沸乙醇和乙酸甲酯混合物。采用cosmos - rs软件对萃取剂进行筛选。从16个氢键受体和38个氢键供体中筛选出最佳萃取剂，并进行气液平衡实验进行实验验证。本实验表明，由醇类和季铵盐类化学物合成的DESs的分离是比较可行的，不同的二醇作为氢键给体的分离效果不同。同时，通过定量计算进行微观分析，阐明空间位阻对乙醇-乙酸甲酯分离性能影响的潜在机理。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

AIChE Journal 工程技术-工程：化工

CiteScore

7.10

自引率

10.80%

发文量

411

审稿时长

3.6 months

期刊介绍： The AIChE Journal is the premier research monthly in chemical engineering and related fields. This peer-reviewed and broad-based journal reports on the most important and latest technological advances in core areas of chemical engineering as well as in other relevant engineering disciplines. To keep abreast with the progressive outlook of the profession, the Journal has been expanding the scope of its editorial contents to include such fast developing areas as biotechnology, electrochemical engineering, and environmental engineering. The AIChE Journal is indeed the global communications vehicle for the world-renowned researchers to exchange top-notch research findings with one another. Subscribing to the AIChE Journal is like having immediate access to nine topical journals in the field. Articles are categorized according to the following topical areas: Biomolecular Engineering, Bioengineering, Biochemicals, Biofuels, and Food Inorganic Materials: Synthesis and Processing Particle Technology and Fluidization Process Systems Engineering Reaction Engineering, Kinetics and Catalysis Separations: Materials, Devices and Processes Soft Materials: Synthesis, Processing and Products Thermodynamics and Molecular-Scale Phenomena Transport Phenomena and Fluid Mechanics.