Title of article
Why are aromatic compounds more soluble than aliphatic compounds in dimethylimidazolium ionic liquids? A simulation study
Author/Authors
Hanke، نويسنده , , C.G. and Johansson، نويسنده , , A. and Harper، نويسنده , , J.B. and Lynden-Bell، نويسنده , , R.M.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2003
Pages
6
From page
85
To page
90
Abstract
Molecular dynamics simulations of solutions of benzene in dimethylimidazolium chloride and dimethylimidazolium hexafluorophosphate have been performed with a view to answering the question posed in the title. The difference between the chemical potential of a normal model of benzene and one with no charges was found to depend on the solvent but is at least 4 kBT. This difference is sufficient to account for the observed solubility differences. There are substantial changes in the local structure around benzene with and without charges.
Journal title
Chemical Physics Letters
Serial Year
2003
Journal title
Chemical Physics Letters
Record number
1784564
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