Branched Polymers under Shear
- Author(s)
- Arash Nikoubashman, Christos Likos
- Abstract
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(s)
- Computational and Soft Matter Physics
- External organisation(s)
- Heinrich-Heine-Universität Düsseldorf
- Journal
- Macromolecules
- Volume
- 43
- Pages
- 1610-1620
- No. of pages
- 11
- ISSN
- 0024-9297
- DOI
- https://doi.org/10.1021/ma902212s
- Publication date
- 2010
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 1030 Physics, Astronomy
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/957dbcad-0ca3-4ea2-b4e3-922fae0ff15c