49 citations · 68 across the 5 of their papers we have counts for
5 papers
Hydration of polyelectrolytes studied by molecular dynamics simulation
Oliver Biermann, Erich Haedicke, Sebastian Koltzenburg +2
Molecular dynamics simulations of diluted (~2.5 weight percent) aqueous solutions of two polyelectrolytes, namely sodium carboxy methyl cellulose (CMC) and sodium poly(acrylate) (P…
Local Structure and Dynamics of Trans-polyisoprene oligomers
Roland Faller, Florian Mueller-Plathe, Manolis Doxastakis +1
Mono- and poly-disperse melts of oligomers (average length 10 monomers) of trans-1,4-polyisoprene are simulated in full atomistic detail. The force-field is developed by means of a…
Multi-scale modeling of poly(isoprene) melts
Roland Faller, Florian Mueller-Plathe
Atomistic (atom-scale) and coarse-grained (meso-scale) simulations of structure and dynamics of poly-isoprene melts are compared. The local structure and chain packing is mainly de…
Chain stiffness intensifies the reptation characteristics of polymer dynamics in the melt
Roland Faller, Florian Mueller-Plathe
The reptation concept in polymer dynamics is studied for model chains with added stiffness. The main idea of a chain diffusing inside a tube can be transferred from fully flexible…
Orientation Correlation in Simplified Models of Polymer Melts
Roland Faller, Mathias Puetz, Florian Mueller-Plathe
We investigate mutual local chain order in systems of fully flexible polymer melts in a simple generic bead-spring model. The excluded-volume interaction together with the connecti…