Research on the Application of Ionic Liquid Extraction Agent in the Enhanced Separation of Allyl Alcohol-Water Azeotropic System

IF 0.7 4区 化学 Q4 CHEMISTRY, PHYSICAL Russian Journal of Physical Chemistry A Pub Date : 2024-07-02 DOI:10.1134/s0036024424700250
Huan-xin Li, Xiang-ru Ren, Xin Ding, Bing-ling Yu
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Abstract

Allyl alcohol is an important chemical intermediate widely used in the synthesis of pharmaceuticals, pesticides, and perfumes. Therefore, studying the efficient separation of the azeotropic system of allyl alcohol-water has important practical significance. Based on the COSMO-RS predictive model and by using the selectivity and capacity as the evaluator, the performance of the ionic liquids as extractants for separating the azeotropic system of allyl alcohol-water were studied. First, two high-performance extractants named tetramethylammonium chloride (C12A11) and tetramethylammonium bromide (C12A12) were screened from 384 ion liquids designed by combining 16 anions and 24 cations. Second, the reliability of the model in predicting the vapor-liquid phase equilibrium behavior of the allyl alcohol-water system was verified. Then, tetramethylammonium chloride was used to investigate its effect on the vapor-liquid phase equilibrium of the allyl alcohol-water system. The results show that at a molar content of tetramethylammonium chloride of 0.1, the azeotrope of the system can be broken, which can be used for enhanced separation of the allyl alcohol-water system. On this basis, the mechanism of extractant selectivity for allyl alcohol was analyzed from the perspective of microscopic molecular interactions, providing theoretical support and data support for further designing high-performance ion liquid extractants.

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离子液体萃取剂在烯丙基醇-水共沸体系强化分离中的应用研究
摘要 烯丙醇是一种重要的化学中间体,广泛用于合成药物、农药和香水。因此,研究烯丙基醇-水共沸体系的高效分离具有重要的现实意义。基于 COSMO-RS 预测模型,以选择性和容量为评价指标,研究了离子液体作为萃取剂分离烯丙基醇-水共沸体系的性能。首先,从16种阴离子和24种阳离子设计的384种离子液体中筛选出了名为四甲基氯化铵(C12A11)和四甲基溴化铵(C12A12)的两种高性能萃取剂。其次,验证了该模型在预测烯丙醇-水体系的气液相平衡行为方面的可靠性。然后,使用四甲基氯化铵研究其对烯丙醇-水体系气液相平衡的影响。结果表明,当四甲基氯化铵的摩尔含量为 0.1 时,该体系的共沸物可以被打破,从而可用于提高烯丙基醇-水体系的分离效果。在此基础上,从微观分子相互作用的角度分析了烯丙基醇萃取剂选择性的机理,为进一步设计高性能离子液体萃取剂提供了理论支持和数据支撑。
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来源期刊
CiteScore
1.20
自引率
14.30%
发文量
376
审稿时长
5.1 months
期刊介绍: Russian Journal of Physical Chemistry A. Focus on Chemistry (Zhurnal Fizicheskoi Khimii), founded in 1930, offers a comprehensive review of theoretical and experimental research from the Russian Academy of Sciences, leading research and academic centers from Russia and from all over the world. Articles are devoted to chemical thermodynamics and thermochemistry, biophysical chemistry, photochemistry and magnetochemistry, materials structure, quantum chemistry, physical chemistry of nanomaterials and solutions, surface phenomena and adsorption, and methods and techniques of physicochemical studies.
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