文献类型：期刊文献

英文题名：Amino Acid Based Ionic Liquids as Additives for the Separation of an Acetonitrile and Water Azeotropic Mixture: COSMO-RS Prediction and Experimental Verification

作者：Li, Tingting[1,2];Yang, Ling[1,2];Ding, Hairong[1,2];Li, Jinlong[3];Peng, Changjun[1,2];Liu, Honglai[1,2]

机构：[1]E China Univ Sci & Technol, State Key Lab Chem Engn, Shanghai 200237, Peoples R China;[2]E China Univ Sci & Technol, Dept Chem, Shanghai 200237, Peoples R China;[3]E China Univ Sci & Technol, Minist Educ, Key Lab Adv Control & Optimizat Chem Proc, Shanghai 200237, Peoples R China

年份：2015

卷号：54

期号：48

起止页码：12143

外文期刊名：INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

收录：;EI(收录号：20155001654395);WOS:【SCI-EXPANDED(收录号:WOS:000366341800022)】；

基金：The authors gratefully acknowledge financial support of the National Basic Research Program of China (Grant 2015CB251401), National Natural Science Foundation of China (Grants 21136004, 21276073, and 21476070), Fundamental Research Funds for the Central Universities of China (Grant 222201313001), and Natural Science Foundation of Shanghai (Grant 13ZR1411300).

语种：英文

外文关键词：Phase equilibria - Ionic liquids - Atmospheric pressure - Amino acids - Separation

摘要：The effects of 18 different amino acid based ionic liquids (AAILs) on the phase behavior of an acetonitrile + water mixture were predicted through the COSMO-RS method, indicating that all investigated AALLs could enhance the relative volatility of acetonitrile and break the azeotrope, in which 1-ethyl-3-methylimidazolium proline ([EMIM] [Pro]) was the most effective at a given condition. Furthermore, the properties of the interaction energy, charge-density profiles, and excess enthalpy were obtained, showing that the stronger interactions between AAIL and water lead to improvement of the separation efficiency. To verify the feasibility, the isobaric vapor liquid equilibrium data for two ternary mixtures of acetonitrile + water + [EMIM][Pro] and + 1-ethyl-3-methylimidazolium acetate ([EMIM] [OAC]) at fixed IL mole fraction (0.05 and 0.10) were measured at atmospheric pressure. The experimental results show that the two ILs can effectively enhance the relative volatility of acetonitrile and break the azeotrope at the mole fraction 0.05 and the higher the IL content in the mixture, the better the separation effect observed.