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Phys. Rev. Lett. 85, 2522–2525 (2000)

Can Polymer Coils Be Modeled as “Soft Colloids”?

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A. A. Louis1, P. G. Bolhuis1, J. P. Hansen1, and E. J. Meijer2
1Department of Chemistry, Lensfield Road, Cambridge CB2 1EW, United Kingdom
2Department of Chemical Engineering, University of Amsterdam, Nieuwe Achtergracht 166, NL-1018 WV Amsterdam, The Netherlands

Received 26 May 2000; published in the issue dated 18 September 2000

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.

© 2000 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.85.2522
DOI:
10.1103/PhysRevLett.85.2522
PACS:
61.25.Hq, 61.20.Gy, 82.70.Dd