期刊
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
卷 51, 期 27, 页码 9376-9385出版社
AMER CHEMICAL SOC
DOI: 10.1021/ie3000985
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资金
- National Basic Research Program of China [2012CB720500, 2009CB219902]
- National Natural Science Foundation of China [21136004]
- 111 Project of China [B08021]
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.
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