Journal article

COMPUTER-SIMULATIONS OF POLYELECTROLYTE CHAINS IN SALT SOLUTION

GA CHRISTOS, SL CARNIE

JOURNAL OF CHEMICAL PHYSICS | AMER INST PHYSICS | Published : 1990

Abstract

We use Monte Carlo simulation methods to study the conformational properties of a partially ionized polyelectrolyte chain in 1:1 electrolyte solution at room temperature and the distribution of salt ions around the polyion chain. The present results are extensively compared with our previous work on polyelectrolyte chains interacting via a screened Coulomb potential with no ions. The two models give similar conformational properties for lower degrees of ionization of the polyion and/or higher salt concentrations. For higher degrees of ionization and/or lower salt concentrations, the counterions seem to position themselves so as to enhance their effect over the screening model counterpart, an..

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University of Melbourne Researchers