文献类型：期刊文献

英文题名：Systematic Method for Screening Ionic Liquids as Extraction Solvents Exemplified by an Extractive Desulfurization Process

作者：Song, Zhen[1,2];Zhou, Teng[2];Qi, Zhiwen[1];Sundmacher, Kai[2,3]

机构：[1]East China Univ Sci & Technol, Sch Chem Engn, Max Planck Partner Grp, State Key Lab Chem Engn, 130 Meilong Rd, Shanghai 200237, Peoples R China;[2]Max Planck Inst Dynam Complex Tech Syst, Proc Syst Engn, Sandtorstr 1, D-39106 Magdeburg, Germany;[3]Otto von Guericke Univ, Proc Syst Engn, Univ Pl 2, D-39106 Magdeburg, Germany

年份：2017

卷号：5

期号：4

起止页码：3382

外文期刊名：ACS SUSTAINABLE CHEMISTRY & ENGINEERING

收录：;EI(收录号：20171403537716);WOS:【SCI-EXPANDED(收录号:WOS:000398429700066)】；

基金：This research is supported by the National Natural Science Foundation of China (NSFC U1462123), Major State Basic Research Development Program of China (973 Program 2012CB720502), PetroChina Innovation Foundation, Fundamental Research Funds for the Central Universities of China, and 111 Project (B08021). Moreover, Zhen Song acknowledges the financial support of China Scholarship Council for his joint Ph.D. program (No. 201506740031) in Max Planck Institute for Dynamics of Complex Technical Systems, Magdeburg, Germany.

语种：英文

外文关键词：Ionic liquids screening; Liquid-liquid equilibrium; Physical property; Process simulation; Extractive desulfurization

摘要：For the selection of industrially suitable ionic liquids (ILs) as extraction solvents, a systematic method combining phase equilibrium calculation, physical property prediction, and process simulation is presented. The conductor -like screening model for real solvents is used to predict the liquid liquid equilibria of the systems composed of the target mixture to be separated and different Its at the specific global composition of interest, thereby prescreening ILs with higher mass -based distribution coefficient and selectivity as well as lower solvent loss. Group contribution methods are then employed to estimate the key physical properties of the prescreened Its and further suggest candidates meeting certain physical property constraints. Afterward, the performance of the top IL candidates in a continuous process is analyzed by Aspen Plus to identify finally process -based optimal solvents. The proposed method is illustrated with an extractive desulfurization case study and two most promising ILs for this process are consequently determined.