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

T. S. Lo, Boris Khusid, J. Koplik, A. Acrivos

Research output: Chapter in Book/Report/Conference proceedingConference contribution

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.

Original languageEnglish (US)
Title of host publication2007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007, Technical Proceedings
Pages284-287
Number of pages4
StatePublished - Aug 23 2007
Event2007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007 - Santa Clara, CA, United States
Duration: May 20 2007May 24 2007

Publication series

Name2007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007, Technical Proceedings
Volume3

Other

Other2007 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2007
CountryUnited States
CitySanta Clara, CA
Period5/20/075/24/07

All Science Journal Classification (ASJC) codes

  • Mechanical Engineering

Keywords

  • Counterions
  • Electrophoresis
  • Molecular dynamics
  • Polyelectrolyte
  • Transport properties

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