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Anisotropic effective interactions and stack formation in mixtures of semiflexible ring polymers

Autor(en)
Peter Poier, Petra Bacova, Angel J. Moreno, Christos N. Likos, Ronald Blaak
Abstrakt

By means of extensive computer simulations, we investigate the formation of columnar structures ( stacks) in concentrated solutions of semiflexible ring polymers. To characterize the stacks we employ an algorithm that identifies tube-like structures in the simulation cell. Stacks are found both in the real system and in the fluid of soft disks interacting through the effective anisotropic pair potential derived for the rings [P. Poier et al., Macromolecules, 2015, 48, 4983-4997]. Furthermore, we investigate binary mixtures of cluster-forming and non-cluster-forming rings. We find that monodispersity is not a requirement for stack formation. The latter is found for a broad range of mixture compositions, though the columns in the mixtures exhibit important differences to those observed in the monodisperse case. We extend the anisotropic effective model to mixtures. We show that it correctly predicts stack formation and constitutes a significant improvement with respect to the usual isotropic effective description based only on macromolecular centers-of-mass.

Organisation(en)
Computergestützte Physik und Physik der Weichen Materie
Externe Organisation(en)
University of the Basque Country, Foundation for Research and Technology—Hellas (FORTH), Donostia International Physics Centre (DIPC)
Journal
Soft Matter
Band
12
Seiten
4805-4820
Anzahl der Seiten
16
ISSN
1744-683X
DOI
https://doi.org/10.1039/c6sm00430j
Publikationsdatum
2016
Peer-reviewed
Ja
ÖFOS 2012
103023 Polymerphysik
Schlagwörter
ASJC Scopus Sachgebiete
Condensed Matter Physics, Allgemeine Chemie
Link zum Portal
https://ucrisportal.univie.ac.at/de/publications/4158b24e-e337-47c6-8906-ebbb10760d9f