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Phys. Rev. Lett. 101, 265702 (2008) [4 pages]

Universal Scaling, Entanglements, and Knots of Model Chain Molecules

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Katerina Foteinopoulou, Nikos Ch. Karayiannis*, and Manuel Laso
Institute for Optoelectronics and Microsystems (ISOM), Universidad Politécnica de Madrid (UPM), José Gutiérrez Abascal 2, 28006 Madrid, Spain

Martin Kröger
Polymer Physics, Department of Materials, ETH Zürich, Wolfgang-Pauli-Strasse 10, CH-8093 Zürich, Switzerland

Marc L. Mansfield
Department of Chemistry and Chemical Biology, Stevens Institute of Technology, Hoboken, New Jersey 07079, USA

Received 16 August 2008; revised 30 October 2008; published 30 December 2008

By identifying the maximally random jammed state of freely jointed chains of tangent hard spheres we are able to determine the distinct scaling regimes characterizing the dependence of chain dimensions and topology on volume fraction. Calculated distributions of (i) the contour length of the primitive paths and (ii) the number of entanglements per chain agree remarkably well with recent theoretical predictions in all scaling regimes. Furthermore, our simulations reveal a hitherto unsuspected connection between purely intramolecular (knots) and intermolecular (entanglements) topological constraints.

© 2008 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.101.265702
DOI:
10.1103/PhysRevLett.101.265702
PACS:
61.20.Ja, 02.10.Kn, 64.70.Q−, 64.75.Gh

*Corresponding author.

nkarayiannis@etsii.upm.es