Acidic deep eutectic solvents for simultaneous extraction of indole and quinoline from wash oil: Performance and mechanistic insights

IF 5.3 2区化学 Q2 CHEMISTRY, PHYSICAL

Journal of Molecular Liquids Pub Date : 2025-04-24 DOI:10.1016/j.molliq.2025.127662

Jinwen Wang , Lan Yi , Jialing Chen , Li Guo , Xiaoqin Wu , Wen-Ying Li

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引用次数: 0

Abstract

Developing molecularly-tailored solvents for efficient separation is crucial in chemical engineering. This study investigated an acidic deep eutectic solvent (DES), composed of tetraethylammonium chloride and oxalic acid dihydrate (TEAC/OA), for the environmentally-friendly simultaneous extraction of indole and quinoline from model wash oil. The TEAC/OA DES demonstrates exceptional performance, achieving 90.89 % indole and 99.59 % quinoline extraction, surpassing reported DESs and ionic liquids. Molecular dynamics simulations and spectroscopic analysis reveal a selective hydrogen bond mechanism: Cl⁻ anions interact with indole via N–H⋯Cl⁻, while oxalic acid interacts with quinoline via O–H⋯N. Distinct stoichiometries (2:1 indole:Cl⁻ and 1:1 quinoline:–COOH) further highlight the tailored molecular recognition. This work provides a molecular-level understanding for designing DESs with optimized interactions for targeted separations in molecular liquids.

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从洗涤油中同时提取吲哚和喹啉的酸性深共晶溶剂：性能和机理见解

开发适合分子的高效分离溶剂在化学工程中是至关重要的。研究了由四乙基氯化铵和二水合草酸（TEAC/OA）组成的酸性深度共晶溶剂（DES），用于同时从模型洗油中环保提取吲哚和喹啉。TEAC/OA DES表现出优异的性能，实现了90.89%的吲哚和99.59%的喹啉萃取，超过了已有的DESs和离子液体。分子动力学模拟和光谱分析揭示了选择性氢键机制：Cl -阴离子通过N - h⋯Cl -与吲哚相互作用，而草酸通过O-H⋯N与喹啉相互作用。不同的化学计量（2:1吲哚：Cl -和1:1喹啉：-COOH）进一步突出了定制的分子识别。这项工作为设计具有优化相互作用的DESs在分子液体中的靶向分离提供了分子水平的理解。

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来源期刊

Journal of Molecular Liquids 化学-物理：原子、分子和化学物理

CiteScore

10.30

自引率

16.70%

发文量

2597

审稿时长

78 days

期刊介绍： The journal includes papers in the following areas: – Simple organic liquids and mixtures – Ionic liquids – Surfactant solutions (including micelles and vesicles) and liquid interfaces – Colloidal solutions and nanoparticles – Thermotropic and lyotropic liquid crystals – Ferrofluids – Water, aqueous solutions and other hydrogen-bonded liquids – Lubricants, polymer solutions and melts – Molten metals and salts – Phase transitions and critical phenomena in liquids and confined fluids – Self assembly in complex liquids.– Biomolecules in solution The emphasis is on the molecular (or microscopic) understanding of particular liquids or liquid systems, especially concerning structure, dynamics and intermolecular forces. The experimental techniques used may include: – Conventional spectroscopy (mid-IR and far-IR, Raman, NMR, etc.) – Non-linear optics and time resolved spectroscopy (psec, fsec, asec, ISRS, etc.) – Light scattering (Rayleigh, Brillouin, PCS, etc.) – Dielectric relaxation – X-ray and neutron scattering and diffraction. Experimental studies, computer simulations (MD or MC) and analytical theory will be considered for publication; papers just reporting experimental results that do not contribute to the understanding of the fundamentals of molecular and ionic liquids will not be accepted. Only papers of a non-routine nature and advancing the field will be considered for publication.