Why are aromatic compounds more soluble than aliphatic compounds in dimethylimidazolium ionic liquids? A simulation study
作者： C.G. Hanke , A. Johansson , J.B. Harper , R.M. Lynden-Bell
DOI: 10.1016/S0009-2614(03)00703-6
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摘要: Abstract Molecular dynamics simulations of solutions benzene in dimethylimidazolium chloride and hexafluorophosphate have been performed with a view to answering the question posed title. The difference between chemical potential normal model one no charges was found depend on solvent but is at least 4 kBT. This sufficient account for observed solubility differences. There are substantial changes local structure around without charges.
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