Computer simulations for polymer solutions

Kurt Kremer, Burkhard Dünweg and Mark S. Stevens

Physica A: Statistical Mechanics and its Applications, 1993, vol. 194, issue 1, 321-329

Abstract: The properties of charged and neutral polymer solutions are investigated by molecular dynamics (MD) simulations. In the case of the neutral polymers the dynamics of a single chain (length between 30 and 60 monomers) immersed in a large number of solvent particles was studied, in order to test the predictions of the Zimm model. For the case of charged polymers the complete Coulomb interactions were explicitly taken into account. This allows to study the static chain properties as a function of density for systems of up to 2048 ions without the usual mean field approximations.

Date: 1993
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:194:y:1993:i:1:p:321-329

DOI: 10.1016/0378-4371(93)90365-B

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