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Conductivity-viscosity-structure: unpicking the relationship in an ionic liquid.

Salanne M, Simon C, Turq P, Madden PA

Université Pierre et Marie Curie-Paris6, CNRS, ESPCI, UMR 7612, laboratoire LI2C, case courrier 51, 4 Place Jussieu, 75252 Paris Cedex 05, France.

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 BeF(2). 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.

Published 3 May 2007 in J Phys Chem B, 111(18): 4678-84.
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