Communication: Mean-field theory of water-water correlations in electrolyte solutions

David M. Wilkins, David E. Manolopoulos, Sylvie Roke, Michele Ceriotti

Research output: Contribution to journalArticle

19 Citations (Scopus)

Abstract

Long-range ion induced water-water correlations were recently observed in femtosecond elastic second harmonic scattering experiments of electrolyte solutions. To further the qualitative understanding of these correlations, we derive an analytical expression that quantifies ion induced dipole-dipole correlations in a non-interacting gas of dipoles. This model is a logical extension of the Debye-Hückel theory that can be used to qualitatively understand how the combined electric field of the ions induces correlations in the orientational distributions of the water molecules in an aqueous solution. The model agrees with the results from molecular dynamics simulations and provides an important starting point for further theoretical work.

Original languageEnglish
Article number181103
Number of pages4
JournalJournal of Chemical Physics
Volume146
Issue number18
DOIs
Publication statusPublished - 14 May 2017

Keywords

  • Water
  • Debye-Hückel Theory
  • Nonlinear Light Scattering
  • Molecular Dynamics

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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