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Issue 33, 2010
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Recent advances in the modelling and simulation of electrokinetic effects: bridging the gap between atomistic and macroscopic descriptions

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Abstract

Electrokinetic phenomena are of great practical importance in fields as diverse as micro-fluidics, colloid science and oil exploration. However, the quantitative prediction of electrokinetic effects was until recently limited to relatively simple geometries that allowed the use of analytical theories. In the past decade, there has been a rapid development in the use of numerical methods that can be used to model electrokinetic phenomena in complex geometries or, more generally, under conditions where the existing analytical approaches fail. The present paper discusses these recent developments, with special emphasis on the advent of coarse-grained models that make it possible to bridge the gap between a purely atomistic and macroscopic descriptions.

Graphical abstract: Recent advances in the modelling and simulation of electrokinetic effects: bridging the gap between atomistic and macroscopic descriptions

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Publication details

The article was received on 09 Mar 2010, accepted on 03 Jun 2010 and first published on 07 Jul 2010


Article type: Perspective
DOI: 10.1039/C004012F
Citation: Phys. Chem. Chem. Phys., 2010,12, 9566-9580
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    Recent advances in the modelling and simulation of electrokinetic effects: bridging the gap between atomistic and macroscopic descriptions

    I. Pagonabarraga, B. Rotenberg and D. Frenkel, Phys. Chem. Chem. Phys., 2010, 12, 9566
    DOI: 10.1039/C004012F

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