CIESC Journal ›› 2022, Vol. 73 ›› Issue (9): 3915-3928.DOI: 10.11949/0438-1157.20220578

• Separation engineering • Previous Articles     Next Articles

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

Qian LIU(), Xianglan ZHANG(), Zhiping LI, Yulong LI, Mengxing HAN   

  1. School of Chemical and Environmental Engineering, China University of Mining and Technology (Beijing), Beijing 100083, China
  • Received:2022-04-24 Revised:2022-06-05 Online:2022-10-09 Published:2022-09-05
  • Contact: Xianglan ZHANG

油酚分离过程低共熔溶剂的筛选及萃取性能研究

刘潜(), 张香兰(), 李志平, 李玉龙, 韩梦醒   

  1. 中国矿业大学(北京)化学与环境工程学院,北京 100083
  • 通讯作者: 张香兰
  • 作者简介:刘潜(1995—),男,博士研究生,460905289@qq.com
  • 基金资助:
    国家重点研发计划项目(2016YFB0600305);中央高校基本科研业务费专项资金项目(2020YJSHH09)

Abstract:

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.

Key words: deep eutectic solvents, extraction, COSMO-RS model, m-cresol-cumene separation, phase equilibria, experimental validation

摘要:

低温煤焦油中酚类化合物的高效分离在工业上具有重要意义。采用COSMO-RS模型对40种用于间甲酚-异丙苯分离的低共熔溶剂进行筛选,结合σ-profile和σ-potential对筛选得到的低共熔溶剂的高萃取性能进行分析。并采用液液相平衡实验对筛选结果进行验证,优化了萃取工艺条件。结果表明,COSMO-RS模型筛选得到的氯化胆碱(ChCl)∶乙二醇(EG)(1∶2)、ChCl∶丙三醇(Gly)(1∶2)、ChCl∶乳酸(LA)(1∶2)三种低共熔溶剂与间甲酚之间存在较强的氢键相互作用,与异丙苯之间存在排斥作用。液液相平衡实验证实了COSMO-RS筛选结果的可靠性,其中ChCl∶EG(1∶2)具有最高的分配系数和选择性系数,且黏度最低,被选定为最佳的低共熔溶剂。在25℃、ChCl∶EG(1∶2)与模型油质量比为1∶1时,ChCl∶EG(1∶2)对间甲酚萃取率高达98.41%,同时异丙苯夹带量仅为8.41%,并且具有良好的循环使用性能。

关键词: 低共熔溶剂, 萃取, COSMO-RS模型, 间甲酚-异丙苯分离, 相平衡, 实验验证

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