Jump to main content
Jump to site search

Issue 45, 2016
Previous Article Next Article

Preferential solvation and ion association properties in aqueous dimethyl sulfoxide solutions

Author affiliations

Abstract

We study the solvation and the association properties of ion pairs in aqueous dimethyl sulfoxide (DMSO) solution by atomistic molecular dynamics (MD) simulations. The ion pair is composed of two lithium and a single sulfonated diphenyl sulfone ion whose properties are studied under the influence of different DMSO concentrations. For increasing mole fractions of DMSO, we observe a non-ideal behavior of the solution as indicated by the derivatives of the chemical activity. Our findings are complemented by dielectric spectra, which also verify a complex DMSO–water mixing behavior. In agreement with these results, further simulation outcomes reveal an aqueous homoselective solvation of the ion species which fosters the occurrence of pronounced ion association constants at higher DMSO mole fractions. The consequences of this finding are demonstrated by lower ionic conductivities for increasing concentrations of DMSO.

Graphical abstract: Preferential solvation and ion association properties in aqueous dimethyl sulfoxide solutions

Back to tab navigation

Supplementary files

Publication details

The article was received on 26 Aug 2016, accepted on 31 Oct 2016 and first published on 31 Oct 2016


Article type: Paper
DOI: 10.1039/C6CP05909K
Citation: Phys. Chem. Chem. Phys., 2016,18, 31312-31322
  • Open access: Creative Commons BY license
  •   Request permissions

    Preferential solvation and ion association properties in aqueous dimethyl sulfoxide solutions

    A. N. Krishnamoorthy, J. Zeman, C. Holm and J. Smiatek, Phys. Chem. Chem. Phys., 2016, 18, 31312
    DOI: 10.1039/C6CP05909K

    This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. Material from this article can be used in other publications provided that the correct acknowledgement is given with the reproduced material.

    Reproduced material should be attributed as follows:

    • For reproduction of material from NJC:
      [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the Centre National de la Recherche Scientifique (CNRS) and the RSC.
    • For reproduction of material from PCCP:
      [Original citation] - Published by the PCCP Owner Societies.
    • For reproduction of material from PPS:
      [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the European Society for Photobiology, the European Photochemistry Association, and RSC.
    • For reproduction of material from all other RSC journals:
      [Original citation] - Published by The Royal Society of Chemistry.

    Information about reproducing material from RSC articles with different licences is available on our Permission Requests page.

Search articles by author

Spotlight

Advertisements