Dresden 2011 – wissenschaftliches Programm
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 20: Poster: Computational Soft Matter Physics
CPP 20.1: Poster
Dienstag, 15. März 2011, 18:00–20:00, P2
Solvent effects on linear polymer chains - A Monte Carlo Study — •Christoph Jentzsch1,2 and Jens-Uwe Sommer1,2 — 1Leibniz-Institut für Polymerforschung Dresden, Germany — 2TU-Dresden, Intitut für theoretische Pyhsik, Germany
In Computer simulations the solvent is usually introduced implicitly by effective attraction between the monomers to reduce computational time. Strong monomer-monomer attractions such as necessary to simulate chain collaps lead to artefacts both in lattice and off-lattice models. Using a high-performance implementation of the Bond-Fluctuation-Method solvent particles can be explicitly taken into account. This allows us to study effects of poor solvent and collapse transitions of individual chains both statically and dynamically. We present results for single polymer chains under thermal solvent conditions as well as the effect of an external force on the conformation statistics of individual chains.