Conductivity−Viscosity−Structure:  Unpicking the Relationship in an Ionic Liquid†

Mathieu Salanne, Christian Simon, and Pierre Turq
Universit Pierre et Marie Curie-Paris6, CNRS, ESPCI, UMR 7612, laboratoire LI2C, case courrier 51, 4 Place Jussieu, 75252 Paris Cedex 05, France
Paul A. Madden*
School of Chemistry, University of Edinburgh, Edinburgh EH9 3JJ, U.K.
J. Phys. Chem. B, 2007, 111 (18), pp 4678–4684
DOI: 10.1021/jp067073a
Publication Date (Web): March 3, 2007
Copyright © 2007 American Chemical Society
†

 Part of the special issue “Physical Chemistry of Ionic Liquids”.

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*

In papers with more than one author, the asterisk indicates the name of the author to whom inquiries about the paper should be addressed.

Abstract

The relationships between the ionic mobility, the viscosity, and the atomic-scale structure are investigated in computer simulations of mixtures of LiF and the network glass-forming material BeF2. The simulations span a wide range of compositions, across which the fluidity of the system changes greatly due to the break-up of the Be−F network by the addition of the LiF. The relationship between the conductivity and viscosity passes from that expected for independently diffusing ions in the dilute mixtures to strongly decoupled Li+ migration through a viscous network at higher concentrations. The transition between these régimes is linked to the changing local and intermediate-scale structure in the melts. The decoupling phenomenon is associated with the appearance of migration channels in the network which leads to cooperative effects in the Li+ migration.

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History

  • Published In Issue May 10, 2007
  • Received October 27, 2006
    Revised January 19, 2007

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