Faculty of Security Studies, General Tadeusz Kosciuszko Military University of Land Forces, Czajkowskiego 109, 51-147 Wroclaw, Poland.
Department of Physical Chemistry, Faculty of Chemistry, Warsaw University of Technology, Noakowskiego 3, 00-664 Warsaw, Poland.
Environ Sci Technol. 2022 May 17;56(10):6445-6454. doi: 10.1021/acs.est.1c08537. Epub 2022 Apr 29.
The conductor-like screening model for realistic solvents was used to identify ionic liquids (ILs) to efficiently extract perfluorooctanoic acid (PFOA). The infinite dilution chemical potentials of PFOA in 14 000 ILs were calculated and used as descriptors of the chemical affinities between the ILs and PFOA. Trihexyltetradecylphosphonium pivalate ([P6,6,6,14][Piv]) was found to be a good IL for extracting PFOA because it gave a well-balanced combination of a strong chemical attraction for PFOA and useful physicochemical properties. The results of experiments indicated that [P6,6,6,14][Piv] could remove >99.9% of the PFOA in an aqueous solution. However, problematic emulsification of IL in the aqueous phase occurred at PFOA/IL molar ratios <1.9-2.1, and this limited the PFOA removal rate to 80-91%. The ability of the used IL to extract PFOA was found to be partially regenerated by washing the IL with 1% NaOH, and the IL could be reused to extract PFOA with a removal rate decreased by ∼10% in each cycle.
采用导带型筛选模型对实际溶剂进行了研究，以鉴定能够有效萃取全氟辛酸（PFOA）的离子液体（ILs）。计算了 PFOA 在 14000 种 ILs 中的无限稀释化学势，并将其用作 ILs 与 PFOA 之间化学亲和力的描述符。发现三己基十四烷基膦酸酯双（2,4,4-三甲基戊基）酯([P6,6,6,14][Piv])是一种很好的萃取 PFOA 的 IL，因为它具有对 PFOA 的强化学吸引力和有用的物理化学性质的良好平衡组合。实验结果表明，[P6,6,6,14][Piv]可以去除水溶液中 >99.9%的 PFOA。然而，在 PFOA/IL 摩尔比 <1.9-2.1 时，IL 在水相中的乳化问题会变得很严重，这将萃取 PFOA 的速率限制在 80-91%。研究发现，用过的 IL 可以通过用 1%的 NaOH 洗涤来部分再生萃取 PFOA 的能力，并且 IL 可以重复使用，每次循环萃取 PFOA 的去除率降低约 10%。
