Regensburg 2007 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 8: POSTER: Polymer Physics

CPP 8.16: Poster

Montag, 26. März 2007, 16:00–18:00, Poster B

Monte Carlo Simulations for Associate Formation in Semi-Dilute Polymer Solutions — •Marian Brandau, Steffen Trimper, and Ekkehard Straube — Institut für Physik, Martin-Luther-Universität Halle-Wittenberg, D-06099 Halle (Saale)

The results of a lattice-free dynamic Monte Carlo simulation for a semi-dilute polymer rod-bead system are presented.

We assume that the associate formation is determined by a small number of attractive saturable groups. Furthermore, the reactive monomers are supposed to be distributed randomly over the chains and are able to react mutually.

Starting from a dense well equilibrated melt configuration we extract a certain amount of chains, again randomly, which are subjected to the dynamic simulation according to a Metropolis algorithm.

The quantity of interest is the time evolution of the cluster structure depending on the chain density, the density of the reactive groups and the reaction rate. In particular, we find a cluster distribution function.