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

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• 作者：Tingting Li ; Qing Yang ; Hairong Ding ; Jinlong Li ; Changjun Peng ; Honglai Liu
• 刊名：Industrial & Engineering Chemistry Research
• 出版年：2015
• 出版时间：December 9, 2015
• 年：2015
• 卷：54
• 期：48
• 页码：12143-12149
• 全文大小：417K
• ISSN：1520-5045

文摘

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 AAILs 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鈥搇iquid 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.