Screening of deep eutectic solvents and study on extraction performance for oil-hydroxybenzene separation

被引：0
|
作者：
Liu Q. [1 ]
Zhang X. [1 ]
Li Z. [1 ]
Li Y. [1 ]
Han M. [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 / 09期
关键词：
COSMO-RS model; deep eutectic solvents; experimental validation; extraction; m-cresol-cumene separation; phase equilibria;
D O I：
10.11949/0438-1157.20220578
中图分类号：
学科分类号：
摘要：
The efficient separation of phenolic compounds from low-temperature coal tar is of great industrial significance. 40 deep eutectic solvents (DESs) were screened for m-cresol-cumene separation by conductor-like screening model for real solvents (COSMO-RS). The indexes of screening process included capacity, selectivity, and performance index at infinite dilution. In addition, the σ-profile and σ-potential of m-cresol, cumene, and the screened DESs were used to analyze the molecular interactions, which could interpret the high extraction performance of the screened DESs. The screening results were verified by liquid-liquid equilibrium (LLE) experiments, and the extraction process conditions were optimized. The results show that choline chloride (ChCl): ethylene glycol (EG) (1: 2), ChCl: glycerol (Gly) (1: 2), ChCl: lactic acid (LA) (1: 2) demonstrate the higher performance index and are preliminarily screened as extractants. There is a strong hydrogen bond between 3 screened DESs and m-cresol, as well as a repulsive interaction between 3 screened DESs and cumene. Both COSMO-RS calculation and LLE experimental results show that ChCl: EG (1: 2) presents the highest distribution coefficient and selectivity. Moreover, ChCl: EG (1: 2) has the lowest viscosity, which is selected as the most suitable extractant for m-cresol-cumene separation. When the temperature and the mass ratio of ChCl:EG (1:2) to model oil are 25℃ and 1:1, respectively, the ChCl:EG (1:2) can extract 98.41% of the m-cresol with only 8.41% entrained cumene, and ChCl:EG (1:2) has good recycling performance. © 2022 Chemical Industry Press. All rights reserved.
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页码：3915 / 3928
页数：13
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