The main goal of this work is to compare the ability of aromatic and non-aromatic ionic liquids (ILs) as potential solvents to extract phenolic compounds from aqueous systems. Although these liquid salts have been widely studied in the separation of organic compounds, especially aromatic hydrocarbons such as benzene, toluene, ethylbenzene, and isomer xylenes, their application to separate phenols from wastewater is still much less widespread. For that reason, in this work, the extraction efficiency of phenolic compounds in molecular form (phenol, o-cresol, and resorcinol) from water using non-aromatic (1-hexyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide, [HMpyr][NTf₂]) and aromatic (1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, [HMim][NTf₂]) ILs was analyzed and discussed. Firstly, the optimal operating conditions (stirring and settling time, and phase volume ratio V_{ionic liquid}/V_water) were stablished and then other variables such as initial phenol concentration and temperature were also studied. This work was performed through equilibrium distribution studies and the tracking of the concentration of phenol was carried out by absorbance measurements using a UV/visible spectrophotometer.

In order to provide a better understanding of the effect of the cation nature (aromatic and non-aromatic) as well as the role of the phenolic structure on the extraction ability of the ILs, the quantum chemical COSMO –RS method was used to seek an explanation in terms of molecular interactions between the solvents and the phenolic compounds. Overall results support that the aromatic nature of cations does not seem to be the predominant factor driving the extraction process, with hydrogen bonding significantly contributing to competitive solute-solvent interactions which promote the transfer of the phenolic compounds from the aqueous phase to the IL phase.

这项工作的主要目的是比较芳香族和非芳香族离子液体（IL）作为潜在溶剂从水性体系中提取酚类化合物的能力。尽管这些液态盐已被广泛用于分离有机化合物，尤其是芳烃，例如苯，甲苯，乙苯和异构二甲苯，但它们在从废水中分离酚的应用仍然不那么广泛。因此，在这项工作中，使用非芳族（1-己基-1-甲基吡咯烷鎓双（三氟甲基磺酰基）亚胺[HMpyr]从水中提取分子形式的酚类化合物（苯酚，邻甲酚和间苯二酚）的效率[NTf ₂ ]）和芳族（1-己基-3-甲基咪唑双（三氟甲基磺酰基）酰亚胺[HMim] [NTf ₂]）对IL进行了分析和讨论。首先，确定最佳操作条件（搅拌和沉降时间，以及相体积比V_离子液体/ V_水），然后研究其他变量，例如初始苯酚浓度和温度。这项工作是通过平衡分布研究进行的，酚的浓度跟踪是通过使用紫外/可见分光光度计的吸光度测量进行的。

为了更好地理解阳离子性质（芳族和非芳族）的影响以及酚类结构对ILs萃取能力的影响，使用了量子化学COSMO –RS方法寻找一种关于溶剂和酚类化合物之间的分子相互作用的解释。总体结果表明，阳离子的芳香性似乎并不是驱动萃取过程的主要因素，氢键显着促进了竞争性的溶质-溶剂相互作用，从而促进了酚类化合物从水相到IL相的转移。