3 papers
cond-mat.mtrl-sci2001
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…
cond-mat.soft2000
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…
cond-mat.soft2000
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…