文献类型：期刊文献

英文题名：Effect of cation alkyl chain length on liquid-liquid equilibria of {ionic liquids plus thiophene plus heptane}: COSMO-RS prediction and experimental verification

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

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

年份：2016

卷号：425

起止页码：244

外文期刊名：FLUID PHASE EQUILIBRIA

收录：;WOS:【SCI-EXPANDED(收录号:WOS:000382341700032)】；

基金：This research is supported by the National Natural Science Foundation of China (NSFC U1462123), 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 (CSC) for his joint PhD program No. 201506740031.

语种：英文

外文关键词：Cation alkyl chain length effect; Extractive desulfurization; COSMO-RS; Ionic liquids [CnMIM][OAc]; Liquid-liquid equilibria

摘要：When selecting ionic liquid (IL) as solvent for extraction processes, the cation alkyl chain length is an important structural variation, while research particularly concerning its effect is lacking. In this work, the effect of cation alkyl chain length on the liquid-liquid equilibria of {IL + thiophene + heptane}, an example for extractive desulfurization, was systematically investigated. The COSMO-RS model was employed to calculate the distributional coefficient (beta(infinity)) and selectivity (S-infinity) at infinite dilution for thiophene of the combinations of 17 cations and 63 anions. Two different anion-dependent tendencies of the beta(infinity) with increasing the cation alkyl chain length were identified and analyzed by COSMO-RS theory. To verify the scarcely-reported decreasing beta(infinity) with longer cation alkyl chain, acetate ([OAc](-)) was selected as representative and liquid-liquid equilibria {[CnMIM][OAc] + thiophene + heptane} (n = 2, 4, 6, 8) were experimentally determined, which validate the anion -dependency and demonstrate the highest extraction performance of [C2MIM][OAc]. (C) 2016 Elsevier B.V. All rights reserved.