Selecting of appropriate ionic liquids (ILs) as extracting agents is a key to ensuring an extraction process. Therefore, this study illustrates a systematic method for an extractive desulfurization (EDS) process to select the most promising ILs. The proposed method combines: 1) COSMO-RS calculation of the mutual solubility of ILs and fuel oil, and the capacity of ILs for the S-compounds, 2) experimental investigation of the prescreened ILs for their desulfurization ability, 3) and Aspen Plus simulation of developing a new insight into the industrial application of EDS. Based on the obtained results, [C₁pyr][H₂PO₄] and [C₁pyr][HSO₄] having small mutual solubility with fuel oil, high extraction capacity for S-compounds and high desulfurization efficiency are selected as two promising ILs. Considering the qualification of the low sulfur content standard and real industrial applications, [C₁pyr][H₂PO₄] is recognized as the most favorable solvent for the EDS process. The proposed method initiating from micro-level to experimental stage and finally to industrial stage can preferably be extended over a variety of extraction application for selection of the promising ILs.

选择合适的离子液体（ILs）作为萃取剂是确保萃取过程的关键。因此，本研究说明了用于萃取脱硫（EDS）过程以选择最有希望的IL的系统方法。所提出的方法结合了以下内容：1）COSMO-RS计算IL和燃油的互溶性，以及IL对S化合物的容量； 2）对预筛选的IL进行脱硫能力的实验研究； 3）和Aspen Plus模拟开发EDS工业应用的新见解。根据获得的结果，[C ₁ pyr] [H ₂ PO ₄ ]和[C ₁ pyr] [HSO ₄与燃料油具有互溶性小，对S化合物的萃取能力高和脱硫效率高的化合物被选为两个有前途的IL。考虑到低硫含量标准和实际工业应用的资格，[C ₁ pyr] [H ₂ PO ₄ ]被认为是EDS工艺最有利的溶剂。从微观水平开始到实验阶段并最终到工业阶段的所提出的方法可以优选地扩展到用于选择有希望的IL的多种提取应用中。