文献类型：期刊文献

英文题名：Sifting Ionic Liquids as Additives for Separation of Acetonitrile and Water Azeotropic Mixture Using the COSMO-RS Method

作者：Li, Jinlong[2];Yang, Xiaoqian[1,3];Chen, Kexia[1,3];Zheng, Yeling[1,3];Peng, Changjun[1,3];Liu, Honglai[1,3]

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

年份：2012

卷号：51

期号：27

起止页码：9376

外文期刊名：INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

收录：;EI(收录号：20122915263041);WOS:【SCI-EXPANDED(收录号:WOS:000306299300021)】；

基金：The authors gratefully acknowledge the financial support of the National Basic Research Program of China (Nos. 2012CB720500 and 2009CB219902), the National Natural Science Foundation of China (No. 21136004), and the 111 Project (Grant B08021) of China.

语种：英文

外文关键词：Acetonitrile - Enthalpy - Separation - Solutions - Organic solvents - Binary mixtures - Hydrogen bonds

摘要：The phase behavior of the ternary acetonitrile + water + ionic liquid system was predicted using the COSMO-RS method. The effects of different ionic liquids on the separation of acetonitrile + water were discussed. It was found that the influence of anions [OAc](-) and [Cl](-) on the acetonitrile + water mixture is strong, while the cations have fewer effects on the mixture. The interaction energies and mixing enthalpies of binary acetonitrile + ionic liquid and water + ionic liquid systems were predicted indicating that the interaction energy between molecules is stronger in the water + ionic liquid mixture than in the acetonitrile + ionic liquid system. The excess enthalpies of binary mixtures mainly depend on the hydrogen bonds formed between water (or acetonitrile) and ionic liquids. Ionic liquids [EMIM][OAc] and [EMIM]Cl are expected to be favorable solvents and supposed to have practical applications in the separation of acetonitrile from aqueous solution.