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Phys Rev Lett. 2000 Sep 18;85(12):2522-5. doi: 10.1103/PhysRevLett.85.2522.

Can polymer coils Be modeled as "Soft colloids"?.

Physical review letters

Louis, Bolhuis, Hansen, Meijer

Affiliations

  1. Department of Chemistry, Lensfield Road, Cambridge CB2 1EW, United Kingdom.

PMID: 10978097 DOI: 10.1103/PhysRevLett.85.2522

Abstract

We map dilute or semidilute solutions of nonintersecting polymer chains onto a fluid of "soft" particles interacting via a concentration dependent effective pair potential, by inverting the pair distribution function of the centers of mass of the initial polymer chains. A similar inversion is used to derive an effective wall-polymer potential; these potentials are combined to successfully reproduce the calculated exact depletion interaction induced by nonintersecting polymers between two walls. The mapping opens up the possibility of large-scale simulations of polymer solutions in complex geometries.

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