Dynamics and Distribution of Counterions in the Vicinity of a Flexible Polyelectrolyte

Document Type

Conference Proceeding

Publication Date

8-23-2007

Abstract

Using molecular dynamics simulations, we investigated the dynamics and the distribution of the counterions within the Bjerrum layer of a polyelectrolyte with the degree of ionization spanning a range covering the counterion condensation transition point. We found that, during the condensation process, individual counterions enter and leave the vicinity of the polyelectrolyte molecule independently and randomly on a time scale comparable to the diffusion time across a Debye layer, and that the distribution of the counterions along the polyelectrolyte is not uniform. Instead, these counterions form clusters and that, within a cluster, they are packed with short range orientation order. Our simulations provide information on the detailed arrangement of the condensed counterions along a flexible polyelectrolyte, which is useful in understanding the electrophoretic behavior of these molecules, as well as the interaction between them.

Identifier

34547981244 (Scopus)

ISBN

[1420063421, 9781420063424, 1420061844, 9781420061840]

Publication Title

2007 Nsti Nanotechnology Conference and Trade Show Nsti Nanotech 2007 Technical Proceedings

First Page

284

Last Page

287

Volume

3

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