文献类型：期刊文献

英文题名：Comprehensive Evaluation of COSMO-RS for Predicting Ternary and Binary Ionic Liquid-Containing Vapor-Liquid Equilibria

作者：Qin, Hao[1,2];Wang, Zihao[2];Zhou, Teng[2,3];Song, Zhen[1,3]

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

年份：2021

卷号：60

期号：48

起止页码：17761

外文期刊名：INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

收录：;EI(收录号：20214911289909);WOS:【SCI-EXPANDED(收录号:WOS:000755187400040)】；

基金：This research is part of a Sino-German joint research project supported by the Deutsche Forschungsgemeinschaft (DFG) and the National Natural Science Foundation of China (NSFC) under the grants SU 189/9-1 and 21861132019, respectively. Moreover, H.Q. gratefully acknowledges the financial support of China Scholarship Council (CSC) for his joint Ph.D. program (no. 202006740089) with the Max Planck Institute for Dynamics of Complex Technical Systems, Magdeburg, Germany.

语种：英文

外文关键词：Distillation

摘要：To develop efficient ionic liquid (IL)-based separation processes like extractive distillation, the knowledge of IL-involved vapor-liquid equilibria (VLE) is necessary. Since experimental measurements are usually time-consuming and expensive, reliable models for VLE prediction are highly desirable. In this work, the predictive performance of COSMO-RS is systematically evaluated for ternary and binary IL-containing VLE systems. A large experimental VLE database is established from the literature, including 6531 and 2265 data points for ternary and binary systems, respectively. The ternary and binary VLE systems are divided into five and three subsets based on the varieties of molecular solutes. The COSMO-RS performance in capturing the effects of IL and solute structures, IL dosage, and temperature on VLE is analyzed. COSMO-RS provides generally qualitative and in some cases quantitative description of the VLE behaviors and thus could be used as a valuable tool for prior IL screening and process analysis for related separations.