Jump to main content
Jump to site search
Access to RSC content Close the message box

Continue to access RSC content when you are not at your institution. Follow our step-by-step guide.

Issue 20, 2009
Previous Article Next Article

Predicting polymer dynamics at multiple length and time scales

Author affiliations


Soft condensed matter, involving such diverse systems as synthetic or biological macromolecules to colloids, is a fast growing research area due to its scientific and technological relevance. Beyond scaling theories of simple model systems the dynamics and rheology of complex fluids have been extensively studied through various experimental techniques and computer simulations. While these techniques typically address a single dynamic quantity it is a challenge to develop simulation methodologies that can directly access different dynamic quantities as well as a broad range of length and time scales of specific systems. Here we present a hierarchical simulation approach to overcome these problems. We predict polymer dynamics over a broad spectrum of length and time scales ranging from segmental relaxation on the monomer level to long time chain diffusion. As an example we study various dynamical modes of atactic polystyrene melts of molecular weights relevant to polymer processing (up to 50,000 g/mol) without any adjustable parameter and compare the results to experiments.

Graphical abstract: Predicting polymer dynamics at multiple length and time scales

Back to tab navigation

Article information

16 Mar 2009
03 Jun 2009
First published
14 Jul 2009

Soft Matter, 2009,5, 3920-3926
Article type

Predicting polymer dynamics at multiple length and time scales

V. A. Harmandaris and K. Kremer, Soft Matter, 2009, 5, 3920
DOI: 10.1039/B905361A

Social activity

Search articles by author