Multiscale screening of ionic liquids as extractive solvents for oil-hydroxybenzene separation

被引：0
|
作者：
Liu Q. [1 ]
Zhang X. [1 ]
Li Z. [1 ]
Li Z. [1 ]
Yu H. [1 ]
机构：
[1] School of Chemical and Environmental Engineering, China University of Mining and Technology-Beijing, Beijing
来源：
Huagong Xuebao/CIESC Journal | 2022年 / 73卷 / 11期
关键词：
COSMO-RS model; ionic liquids; m-cresol-cumene; phase equilibria; process simulation; separation;
D O I：
10.11949/0438-1157.20221062
中图分类号：
学科分类号：
摘要：
Ionic liquids have been widely used as extractive solvents for the separation of oil-hydroxybenzene mixtures. However, due to the adjustability of cation and anion, the properties of different ionic liquids vary greatly. It is essential to quickly screen ionic liquids with application prospects. For the m-cresol-cumene separation system, the influences of different cation and anion structures on the separation performance of ionic liquids was investigated by COSMO-RS model, and the separation mechanism was analyzed by intermolecular interaction energy. On this basis, a multiscale ionic liquid screening method including the calculation of infinite dilution thermodynamic properties, the estimation of physical properties, the calculation of phase equilibria, and the evaluation of process performance was proposed. The multiscale method gradually screens ionic liquids from molecular scale to single-stage equilibrium scale, and then to multi-stage equilibrium scale. The results show that 1-ethyl-pyridinium thiocyanate ([C2py] [SCN]) and 1-ethyl-pyridinium dicyanamide ([C2py] [DCA]) are two ionic liquids with more application prospects for the separation of oleophenol obtained by final screening. © 2022 Chemical Industry Press. All rights reserved.
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页码：5011 / 5024
页数：13
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