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Materials 2013, 6(7), 3007-3021;

Charged Polymers Transport under Applied Electric Fields in Periodic Channels

Leibniz-Institut f¨ur Polymerforschung Dresden, Hohe Str. 6, Dresden 01069, Germany
Institute of Theoretical Physics, Technische Universität Dresden, Dresden 01069, Germany
Author to whom correspondence should be addressed.
Received: 3 June 2013 / Revised: 10 July 2013 / Accepted: 11 July 2013 / Published: 19 July 2013
(This article belongs to the Special Issue Diffusion in Micropores and Mesopores 2013)
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By molecular dynamics simulations, we investigated the transport of charged polymers in applied electric fields in confining environments, which were straight cylinders of uniform or non-uniform diameter. In the simulations, the solvent was modeled explicitly and, also, the counterions and coions of added salt. The electrophoretic velocities of charged chains in relation to electrolyte friction, hydrodynamic effects due to the solvent, and surface friction were calculated. We found that the velocities were higher if counterions were moved away from the polymeric domain, which led to a decrease in hydrodynamic friction. The topology of the surface played a key role in retarding the motion of the polyelectrolyte and, even more so, in the presence of transverse electric fields. The present study showed that a possible way of improving separation resolution is by controlling the motion of counterions or electrolyte friction effects. View Full-Text
Keywords: molecular dynamics; polyelectrolytes; confinement molecular dynamics; polyelectrolytes; confinement

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Nedelcu, S.; Sommer, J.-U. Charged Polymers Transport under Applied Electric Fields in Periodic Channels. Materials 2013, 6, 3007-3021.

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