• 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