Brownian dynamics simulations of salt-free polyelectrolyte solutions

Rakwoo Chang, Arun Yethiraj

Research output: Contribution to journalArticlepeer-review

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The properties of salt-free polyelectrolyte solutions were studied using Brownian dynamics (BD) simulations. The polymers and counterions were modeled as charged spheres and charged bead-spring chains. The configurations were generated using a Monte Carlo simulation and were equilibrated using BD simulations. A strong coupling between counterions and polyions was found and it was shown that this coupling became weaker as the concentration was increased.

Original languageEnglish
Pages (from-to)5284-5298
Number of pages15
JournalJournal of Chemical Physics
Issue number12
StatePublished - 22 Mar 2002


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