Journal article

COMPUTER-SIMULATION OF SEMIDILUTE POLYELECTROLYTE SOLUTIONS

GA CHRISTOS, SL CARNIE

CHEMICAL PHYSICS LETTERS | ELSEVIER SCIENCE BV | Published : 1990

Abstract

We use Monte Carlo simulation methods to study the conformational properties of flexible partially ionized polyelectrolyte chains and the ordering of the polyelectrolyte chains, for polyelectrolyte concentrations where chain-chain interactions start to become important. In this model the ionic and solvent degrees of freedom are frozen and the charges on the polyelectrolyte chains interact via a screened Coulomb interaction of Debye-Hückel form. Our simulations are restricted to polyelectrolyte ionizations and added-salt concentrations where we know that the screening model is not an unreasonable approximation. For semi-dilute polyelectrolyte concentrations we observe some local anisotropy wi..

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University of Melbourne Researchers