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 + thiophene + 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] Max Planck Partner Group at the State Key Laboratory of Chemical Engineering, School of Chemical Engineering, East China University of Science and Technology, Shanghai, 200237, China

年份：2016

卷号：425

起止页码：244

外文期刊名：Fluid Phase Equilibria

收录：EI(收录号：20162502507956)

语种：英文

外文关键词：Positive ions - Thiophene - Chain length - Heptane - Desulfurization - Extraction - Negative ions

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 (β∞) and selectivity (S∞) at infinite dilution for thiophene of the combinations of 17 cations and 63 anions. Two different anion-dependent tendencies of the β∞ with increasing the cation alkyl chain length were identified and analyzed by COSMO-RS theory. To verify the scarcely-reported decreasing β∞ 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]. ? 2016 Elsevier B.V.