Regensburg 2013 – wissenschaftliches Programm
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 1: Nanoparticles and Composite Materials I
CPP 1.11: Vortrag
Montag, 11. März 2013, 12:45–13:00, H34
Conformational Transitions in Polymer Brushes — •Dirk Romeis1,2 and Jens-Uwe Sommer1,2 — 1Leibnitz-Institut für Polymerforschung Dresden, Germany — 2Technische Universität Dresden, Germany
Due the large density gradients in polymer brushes strong interaction forces are present leading to stretched chain conformations with the end-to-end distance scaling linearly with the degree of polymerization. In such an environment slight modifications of individual brush chains have great effects on their conformations [1,2]. We developed a quasi off-lattice SCF Model, that accounts for finite extensible polymer chains composed of differently sized and interacting spherical monomers. It allows for a realistic description of polymer brushes up to high grafting densities and the results are in excellent agreement to corresponding MD simulation [3], including packing, fluctuation and depletion effects. Using this approach we analyzed the behavior of individually modified guest chains in polymer brushes and encountered conformational transitions revealing a scaling behavior that can be rationalized using an analytical model. [1] Merlitz H. et. al. [Macromolecules 41 5070, 2008] [2] Merlitz H. et. al. [PRL 102 115702, 2009] [3] Romeis D. et. al. [JCP 136 044903, 2012]