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
Link To Document :
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