Dresden 2009 – scientific programme

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 13: POSTERS Polymer Physics

CPP 13.28: Poster

Tuesday, March 24, 2009, 14:00–16:30, P3

Molecular Dynamics Simulations of Bottle-Brush Co-Polymers with a Rigid Backbone under Poor Solvent Conditions — •Panagiotis E Theodorakis, Wolfgang Paul, and Kurt Binder — Institute for Physics, Johannes-Gutenberg University, Mainz, Germany

We have performed extensive Molecular Dynamics simulations for a bead-spring off-lattice model of flexible side chains tethered to a rigid backbone under poor solvent conditions. In particular, we study the static conformational properties of bottle-brush macromolecules by varying parameters specific to this molecular architecture, i.e. the grafting density of the side chains and the backbone length. We also compute structure factors describing the scattering from a single side chain and the total bottle-brush polymer. These results are used for the interpretation of experimental scattering data for bottle-brush macromolecules. Furthermore, we examine the structure formation in co-polymer bottle-brushes under marginal to poor solvent conditions for the side chains.