文献类型：期刊文献

英文题名：Hierarchical Ionic Liquid Screening Integrating COSMO-RS andAspen Plus for Selective Recovery of Hydrofluorocarbons andHydrofluoroolefins from a Refrigerant Blend

作者：Qin, Hao[1,2];Cheng, Jie[1];Yu, Hantao[2];Zhou, Teng[2,3];Song, Zhen[1,2]

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

年份：2022

卷号：61

期号：11

起止页码：4083

外文期刊名：INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

收录：;EI(收录号：20221211820896);WOS:【SCI-EXPANDED(收录号:WOS:000776193100024)】；

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.

语种：英文

外文关键词：Computer software - Recovery - Refrigerants - Fluorocarbons - Global warming - Solubility

摘要：The selective recovery of hydrofluorocarbons (HFCs) andhydrofluoroolefins (HFOs) from end-of-life equipment is regarded as anefficient and sustainable way for their reclamation, thereby reducing theproduction and emission of HFCs with high global warming potential. AR454C blend constituted of difluoromethane (R-32) and 2,3,3,3-tetrafluor-opropene (R-1234yf) is a nontoxic and mildlyflammable refrigerant ideallysuitable for hermetically sealed refrigeration systems. This work presents ahierarchical screening of ionic liquids (ILs) for R-32 and R-1234yf recoveryfrom R454C. First, 1093 HFC/HFO-in-IL solubility data (543 for R-32 and550 for R-1234yf) are collected from the literature to evaluate the reliabilityof the COSMO-RS model for this system. Then, the solubility of R-32 and R-1234yf in 2224 ILs composed of 59 cations and 38 anions is predicted byCOSMO-RS; following that, the IL structural effects on gas solubility areanalyzed according to Sigma-profiles and excess energies. Subsequently,combining the thermodynamic performance and the melting point constraint, the top six ILs among the involved ILs areidentified. Based on the retained ILs, a continuous absorption is simulated and evaluated in Aspen Plus, demonstrating that ILsn-(3-sulfopropyl)pyridinium thiocyanate andn-(3-sulfopropyl)pyridinium hydrogensulfate are promising absorbents from the processpoint of view.