Liquid-liquid extraction and separation mechanism of aromatics and alkanes by ionic liquids

IF 9 1区 工程技术 Q1 ENGINEERING, CHEMICAL Separation and Purification Technology Pub Date : 2025-08-27 Epub Date: 2025-03-27 DOI:10.1016/j.seppur.2025.132668
Mengfan Yin, Jiaxin Cui, Han Liu, Rui Zhang, Tao Zheng, Haiyan Liu, Zhichang Liu, Chunming Xu, Xianghai Meng
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Abstract

Selective separation of aromatics and alkanes is of great significance for molecular refining and meeting the consumption gap of aromatics. Liquid-liquid extraction (LLE) stands out for its favorable operating conditions and low energy demand among various separation methods. Extraction solvent is the key of LLE process. In this research, ionic liquids (ILs) were used as solvents for the separation of aromatics and alkanes, and the effect of anions and cations of ILs was explored using the distribution coefficient (Daromatics), extraction selectivity (Saromatics) and extraction performance index (PI) as evaluation indexes. The separation effect of single metal IL [Emim]Cl-1.0AlCl3 was significantly better than that of organic solvent sulfolane, and its Do-xylene, So-xylene and PI were 0.35, 51 and 18, respectively. To further improve the separation effect, the transition metal salt was added to synthesize bimetallic ILs, the content of transition metal salt was increased, the extraction effect was improved. [Emim]Cl-2.0AlCl3-0.65AgCl was selected, and its Do-xylene, So-xylene and PI were 1.01, 81 and 82, respectively. The extraction conditions were optimized, with temperature of 20 °C and the mass ratio of solvent to oil (S/O ratio) of 4. Under these conditions, Do-xylene, So-xylene and PI of [Emim]Cl-2.0AlCl3-0.65AgCl could reach 1.74, 313 and 545, respectively. [Emim]Cl-2.0AlCl3-0.65AgCl could be recovered by vacuum distillation and exhibited excellent separation performance after reusing 6 times. The separation mechanism of aromatics by different solvents was explored by quantum chemistry simulation. For [Emim][AlCl4], imidazole cation [Emim]+ exhibited a stronger interaction with o-xylene and played a leading role in the selective separation of aromatics. For [Emim][AgAlCl5], there was π-complexation between bimetallic anions and o-xylene, and the anions and cations cooperated to promote the separation of aromatics and alkanes.
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离子液体萃取分离芳烃和烷烃的液液分离机理
芳烃与烷烃的选择性分离对分子精制和满足芳烃的消费缺口具有重要意义。在各种分离方法中,液液萃取以其操作条件好、能耗低而著称。萃取溶剂是LLE工艺的关键。本研究以离子液体(ILs)作为溶剂进行芳烃和烷烃的分离,并以离子液体的分布系数(Daromatics)、萃取选择性(Saromatics)和萃取性能指数(PI)为评价指标,探讨离子液体阴离子和阳离子对芳烃和烷烃分离的影响。单金属IL [Emim]Cl-1.0AlCl3的分离效果明显优于有机溶剂亚砜,其对二甲苯、对二甲苯和PI分别为0.35、51和18。为了进一步提高分离效果,加入过渡金属盐合成双金属il,增加了过渡金属盐的含量,提高了萃取效果。选择[Emim]Cl-2.0AlCl3-0.65AgCl,其do -二甲苯、so -二甲苯和PI分别为1.01、81和82。对提取条件进行优化,提取温度为20 °C,溶剂与油的质量比(S/O)为4。在此条件下,[Emim]Cl-2.0AlCl3-0.65AgCl的do -二甲苯、so -二甲苯和PI分别达到1.74、313和545。[Emim]Cl-2.0AlCl3-0.65AgCl可通过真空蒸馏回收,重复使用6次后表现出优异的分离性能。通过量子化学模拟,探讨了不同溶剂对芳烃的分离机理。对于[Emim][AlCl4],咪唑阳离子[Emim]+与邻二甲苯的相互作用更强,在芳烃的选择性分离中起主导作用。对于[Emim][AgAlCl5],双金属阴离子与邻二甲苯之间存在π络合作用,阴离子与阳离子协同作用促进了芳烃与烷烃的分离。
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来源期刊
Separation and Purification Technology
Separation and Purification Technology 工程技术-工程:化工
CiteScore
14.00
自引率
12.80%
发文量
2347
审稿时长
43 days
期刊介绍: Separation and Purification Technology is a premier journal committed to sharing innovative methods for separation and purification in chemical and environmental engineering, encompassing both homogeneous solutions and heterogeneous mixtures. Our scope includes the separation and/or purification of liquids, vapors, and gases, as well as carbon capture and separation techniques. However, it's important to note that methods solely intended for analytical purposes are not within the scope of the journal. Additionally, disciplines such as soil science, polymer science, and metallurgy fall outside the purview of Separation and Purification Technology. Join us in advancing the field of separation and purification methods for sustainable solutions in chemical and environmental engineering.
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