Solvent structural contributions to the dissolution process of an apolar solute in water

  • Re M
  • Laria D
  • Fernández-Prini R
  • 2

    Readers

    Mendeley users who have this article in their library.
  • 11

    Citations

    Citations of this article.

Abstract

We have examined structural features of aqueous microenvironments in the neighborhood of an apolar solute (Xe atom) using molecular dynamics techniques and the simple point charge model to represent the solvent. A detailed comparative study of equilibrium spatial correlations of the solvent structures in bulk and in the neighborhood of the Xe atom was performed. We have also obtained structural information for water surrounding a cavity spontaneously generated in liquid water. Our results indicate the absence of any significant solvent reorientation following the introduction of an apolar solute in a cavity existing in the bulk liquid; this agrees with results from recent neutron scattering experiments.

Get free article suggestions today

Mendeley saves you time finding and organizing research

Sign up here
Already have an account ?Sign in

Find this document

Authors

  • Mario Re

  • Daniel Laria

  • Roberto Fernández-Prini

Cite this document

Choose a citation style from the tabs below

Save time finding and organizing research with Mendeley

Sign up for free