Regensburg 2010 – scientific programme

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 14: Poster: Interfaces and Thin Films

CPP 14.1: Poster

Monday, March 22, 2010, 16:30–18:00, Poster C

Random Block Copolymers in the Bulk and at Selective Surfaces — •Birger Steinmüller and Marcus Müller — Institut für Theoretische Physik, Georg-August-Universität Göttingen

The disordered phase of a random block copolymer melt shows structural properties which are of interest for the fabrication of fuel cell membranes. In order to observe their behaviour over larger time and length scales than the ones accessible to atomistic simulations, we employ two different coarse-grained models. The Single-Chain in Mean Field (SCMF) model has soft interactions which allow us to equilibrate our systems very fast, whereas the bead-spring Molecular Dynamics model grants us better access to the real dynamics and the structural properties of the melt.

We quantitatively connect these two different models at large length scales so that we can take advantage of the two models' positive properties. For this, we have found parameter values which result in similar mesoscopic behaviour and then used the SCMF configurations as starting points for MD simulations. Additionally, we look at the behaviour of the melt when in contact with a selectively attractive surface. In our simulations, due to compositional fluctuations, we see a new length scale near the surface, the interphase.