Coarse-graining polymers as soft colloids

DOI10.1016/S0378-4371(02)00502-2MaRDI QIDQ1596639zbMATH OpenFDO

Authors R. Finken, V. Krakoviack, E. J. Meijer, Jean-Pierre Hansen, Ard A. Louis, Peter G. Bolhuis

Publication date 2 May 2002

Published in Physica A (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/cond-mat/0112091

zbMATH Keywords

simulationdensity-dependent interactionsdensity-independent interactions

Mathematics Subject Classification ID

Statistical mechanics of polymers (82D60)

Abstract: We show how to coarse grain polymers in a good solvent as single particles, interacting with density-independent or density-dependent interactions. These interactions can be between the centres of mass, the mid-points or end-points of the polymers. We also show how to extend these methods to polymers in poor solvents and mixtures of polymers. Treating polymers as soft colloids can greatly speed up the simulation of complex many-polymer systems, including polymer-colloid mixtures.

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