高等学校化学学报2018，Vol.39Issue(5)：983-989,7.DOI:10.7503/cjcu20170629
[Bmim][DBP]离子液体与甲醇分子间的氢键作用机理及在萃取分离混合C4烃/甲醇中的应用
Mechanism of the Interaction Between Ionic Liquid[Bmim][DBP]and Methanol for Seperation of Mixed C4/Methanol
摘要
Abstract
In this work, the extractive methanol removal from C4hydrocarbon using ionic liquids(ILs)as extractants was studied. Firstly, the effect of structure of ionic liquid on extraction process was investigated. The results show that 1-butyl-3-methyl imidazole dibutyl phosphate([Bmim][DBP])performs the best ex-traction. According to the selected ionic liquid[Bmim][DBP], quantum chemistry calculation method was used to explain the mechanism between ionic liquid[Bmim][DBP]and methanol. The results show that sta-ble hydrogen bonds not only exist between cation and anion in ionic liquid[Bmim][DBP],but also exist be-tween methanol and ionic liquid[Bmim][DBP]. The hydrogen bonds strengthen the interaction among the molecules. The anion[DBP]ˉin[Bmim][DBP]and—OH in methanol form a hydrogen bond of 0.1711 nm and the interaction energy isˉ62.08 kJ/mol. A series of experiments was carried out to determine the effect of ILs/C4mass ratio,extraction time and recycle times on the performance of ionic liquid[Bmim][DBP]. The results show that the extraction rate reaches 99.65% under the conditions of ILs/C4mass ratio of 1:2,extrac-tion time of 60 min,temperature of 25℃. Furthermore,the extration rate would not decrease after 5 recycles.关键词
混合C4烃/离子液体/甲醇/萃取机理Key words
Mixed C4hydrocarbon/Ionic liquid/Methanol/Extraction mechanism分类
化学化工引用本文复制引用
李建伟,李想,张傑,雷志刚..[Bmim][DBP]离子液体与甲醇分子间的氢键作用机理及在萃取分离混合C4烃/甲醇中的应用[J].高等学校化学学报,2018,39(5):983-989,7.基金项目
国家自然科学基金(批准号:21206008)和国家重点研究发展计划项目(批准号:2017YFC0210905)资助. Supported by the National Natural Science Foundation of China(No.21206008)and the National Key Research and Development Program of China(No.2017YFC0210905). （批准号:21206008）
