Diffusion and conduction in a salt-free colloidal suspension via molecular dynamics simulations

Details Diffusion and conduction in a salt-free colloidal suspension via molecular dynamics simulations Diffusion and conduction in a salt-free colloidal suspension via molecular dynamics simulations

2010-12-14

arxiv.org/abs/1012.3181v1

Soft Matter 6, 4223-4228 (2010)

Physics

Condensed Matter

Soft Condensed Matter

10 pages, 4 figures

Scientific paper

10.1039/C0SM00198H

Molecular dynamics (MD) simulations are used to determine the diffusion coefficients, electrophoretic mobilities and electrical conductivity of a charged colloidal suspension in the salt-free regime as a function of the colloid charge. The behavior of the colloidal particles' diffusion constant can be well understood in terms of two coupled effects: counterion 'condensation' and slowdown due to the relaxation effect. We find that the conductivity exhibits a maximum which approximately separates the regimes of counterion-dominated and colloid-dominated conduction. We analyze the electrophoretic mobilities and the conductivity in terms of commonly employed assumptions about the role of "free" and "condensed" counterions, and discuss different interpretations of this approach.

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