Branched Polymers under Shear

Autor(en)

Arash Nikoubashman, Christos Likos

Abstrakt

By employing a multiscale simulational approach that combines multiparticle-collision dynamics for the solvent with standard molecular dynamics for the monomers, we examine the behavior of dendritic macromolecules under shear. We analyze quantitatively the shape and anisotropy of the molecules and its dependence on the shear rate, the molecular generation, and the stiffness of the bonds. The role of hydrodynamics is brought forward by comparing our results with those obtained in the absence of coupling between monomers and solvent. We finally analyze the effects of charge and counterions in the system and complement our simulations with numerical results from Poisson-Boltzmann theory.

Organisation(en)

Computergestützte Physik und Physik der Weichen Materie

Externe Organisation(en)

Heinrich-Heine-Universität Düsseldorf

Journal

Macromolecules

Band

43

Seiten

1610-1620

Anzahl der Seiten

11

ISSN

0024-9297

DOI

https://doi.org/10.1021/ma902212s

Publikationsdatum

2010

Peer-reviewed

Ja

ÖFOS 2012

1030 Physik, Astronomie

Link zum Portal

https://ucrisportal.univie.ac.at/de/publications/957dbcad-0ca3-4ea2-b4e3-922fae0ff15c