Berlin 2015 – scientific programme
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 15: P1: Interfaces and Thin Films
CPP 15.3: Poster
Monday, March 16, 2015, 16:00–19:00, Poster A
Monte Carlo Simulation of Thin Film Polymer Melts — •Andre Galuschko1, Michael Lang1, Torsten Kreer1, and Jens-Uwe Sommer1,2 — 1Leibniz Institute of Polymer Research Dresden, Hohe Straße 6, 01069 Dresden, Germany. — 2Institute of Theoretical Physics, Technische Universität Dresden, Zellescher Weg 17, 01062 Dresden, Germany.
We present Monte Carlo simulation data on conformations and dynamics of polymer melts confined in narrow slits of different widths and compare with data of bulk systems. We find that in confined geometries the chains swell laterally, they retain and even expand their spatially long-range correlations as compared to bulk polymers and in contrast to the assumption of a complete screening of excluded volume. Long chains in bulk melts show entangled dynamics with a clear signature of a t1/4-power law for the mean square displacements of innermost monomers at intermediate time scales. This behavior is gradually lost by confining the melts in slits with decreasing width. For ultra-thin films, the dynamics appears to follow a t1/2 dependence over the entire sub-diffusive regime. However, the terminal relaxation time is significantly increased as compared to Rouse relaxation. This interesting observation was not reported previously and is the focus of our ongoing research.