Dresden 2011 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 33: Focused Session: Computational Polymer Physics - New Developments (jointly with DY)

CPP 33.4: Hauptvortrag

Mittwoch, 16. März 2011, 15:45–16:15, MOL 213

Soft coarse-grained models for multi-component polymer melts — •Marcus Müller — Institut für Theoretische Physik, Georg-August-Universität, Göttingen, Germany

The universal equilibrium properties of dense multi-component polymer systems can be described by minimal coarse-grained models that only incorporate the relevant interactions – connectivity along the molecular backbone, limited compressibility of the polymer liquid, and repulsion between unlike segment species – via simple potentials. In such a model an effective segment corresponds to many monomeric repeat units of a chemically realistic representation and the interactions between effective segments are soft. This large degree of coarse-graining allows for a computationally efficient description of large three-dimensional systems characterized by a large invariant degree of polymerization.

I will discuss simulation techniques for studying the structure formation in block copolymer materials and illustrate the advantages and limitations of this coarse-grained description.