文献类型：期刊文献

英文题名：Solubility of imidazolium-based ionic liquids in model fuel hydrocarbons: A COSMO-RS and experimental study

作者：Song, Zhen[1];Zeng, Qian[1];Zhang, Jinwei[1];Cheng, Hongye[1];Chen, Lifang[1];Qi, Zhiwen[1]

机构：[1]East China Univ Sci & Technol, Sch Chem Engn, Max Planck Partner Grp, State Key Lab Chem Engn, Shanghai 200237, Peoples R China

年份：2016

卷号：224

起止页码：544

外文期刊名：JOURNAL OF MOLECULAR LIQUIDS

收录：;EI(收录号：20164302942954);WOS:【SCI-EXPANDED(收录号:WOS:000390496200067)】；

基金：This research is supported by the National Sciences Foundation of China (NSFC U1462123), Fundamental Research Funds for the Central Universities of China (222201313007), and 111 Project (B08021). Zhen Song acknowledges the financial support of China Scholarship Council (CSC) for his joint PhD program No. 201506740031.

语种：英文

外文关键词：Ionic liquid solubility; Fuel hydrocarbon; COSMO-RS; Molecular interactions; Solubility experiment

摘要：When applying ionic liquids (ILs) in extractive and oxidative desulfurization of fuel oils, the potential solubility of IL in fuel phase is an important concern whereas research particularly on this issue is still scarce. In this work, COSMO-RS was first employed to predict the solubilities of 220 imidazolium-based ILs (11 cations and 20 anions) in 7 model fuel hydrocarbons (namely, n-hexane, n-heptane, n-octane, i-octane, cyclohexane, benzene and toluene), which cover different characters of ILs and hydrocarbons. To understand the effect of IL and hydrocarbon on the IL-in-hydrocarbon solubility, different types of molecular interactions between IL and hydrocarbon were further analyzed from COSMO-RS point of view. Finally, the solubilities of 5 representative ILs in the studied hydrocarbons were experimentally determined by nitrogen analyzer, demonstrating the good qualitative and acceptable quantitative ability of COSMO-RS for predicting IL-in-hydrocarbon solubilities. (C) 2016 Elsevier B.V. All rights reserved,