Influence of topology on effective potentials: coarse-graining ring polymers

Autor(en)

Arturo Narros, Angel J. Moreno, Christos Likos

Abstrakt

We employ computer simulations and integral equation theory techniques to perform coarse-graining of self-avoiding ring polymers with different knotedness and to derive effective interaction potentials between the centers of mass of these macromolecular entities. Different microscopic models for the monomer-monomer interactions and bonding are employed, bringing about an insensitivity of the effective interactions on the microscopic details and a convergence to a universal form for sufficiently long molecules. The pair effective interactions are shown to be accurate up to within the semidilute regime with additional, many-body forces becoming increasingly important as the polymer concentration grows. The dramatic effects of topological constraints in the form of interaction potentials are brought forward and critically discussed.

Organisation(en)

Computergestützte Physik und Physik der Weichen Materie

Externe Organisation(en)

Heinrich-Heine-Universität Düsseldorf, University of the Basque Country

Journal

Soft Matter

Band

6

Seiten

2435-2441

Anzahl der Seiten

7

ISSN

1744-683X

DOI

https://doi.org/10.1039/C001523G

Publikationsdatum

2010

Peer-reviewed

Ja

ÖFOS 2012

1030 Physik, Astronomie

Link zum Portal

https://ucrisportal.univie.ac.at/de/publications/366eaf01-ad6f-4a8e-9655-25b7d934f289