Personal care product (PCP) residues - classified under micropollutants (MPs)- are widely found in aquatic environments, posing trace-level toxicity. Traditional water treatment techniques struggle to remove these toxins effectively. Deep eutectic solvents (DESs), the liquid mixtures typically composed of hydrogen bond donors (HBDs) and hydrogen bond acceptors (HBAs), have recently emerged as a viable alternative for extracting pollutants from water. Among DESs, hydrophobic deep eutectic solvents (HDESs) exhibit low water miscibility and unique solvent properties. The main objective of this study is to synthesize HDESs to effectively eliminate 2-naphthol and methylparaben- two of the significant chemical contaminants in PCPs- from aqueous media. HDESs were prepared by mixing different terpenes (menthol and thymol) and long-chain carboxylic acids at varying molar ratios. They were characterized using different spectroscopic and thermal techniques. The density and viscosity of the pure DESs were measured as a function of temperature. Experimental studies were carried out using the liquid–liquid extraction (LLE) method, and the factors influencing the efficiency of extraction were optimized. Considering the limited number of studies on the extraction mechanism of MPs from aqueous media, this study employs comprehensive computational methods, including density functional theory (DFT) and the COnductor-like Screening MOdel for Real Solvents (COSMO-RS), to provide a detailed interpretation of the extraction mechanism. A series of successive extractions were conducted to reduce the DES usage to ensure economic viability. The reusability of the best-performed DES was explored. Additionally, the regeneration of one of the DESs was accomplished through activated carbon-based recovery.

个人护理产品 (PCP) 残留物属于微污染物 (MP)，广泛存在于水生环境中，具有微量毒性。传统的水处理技术难以有效去除这些毒素。低共熔溶剂 (DES) 是一种通常由氢键供体 (HBD) 和氢键受体 (HBA) 组成的液体混合物，最近已成为从水中提取污染物的可行替代方案。在 DES 中，疏水性低共熔溶剂 (HDES) 表现出低水混溶性和独特的溶剂特性。本研究的主要目的是合成 HDES，以有效消除水介质中 PCP 中的两种重要化学污染物 2-萘酚和对羟基苯甲酸甲酯。HDES 是通过以不同的摩尔比混合不同的萜烯（薄荷醇和百里酚）和长链羧酸来制备的。使用不同的光谱和热技术对它们进行了表征。测量纯 DES 的密度和粘度随 温度的变化。采用液液萃取（LLE）方法进行实验研究，并对影响萃取效率的因素进行了优化。 考虑到关于从水介质中提取 MP 机理的研究数量有限，本研究采用综合计算方法，包括密度泛函理论 (DFT) 和真实溶剂类 COndor 筛选模型 (COSMO-RS)，提供了详细的提取机制的解释。进行了一系列连续萃取以减少 DES 的使用，以确保经济可行性。探索了性能最佳 DES 的可重用性。此外，其中一种 DES 的再生是通过活性炭回收完成的。