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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 37: Molecular Dynamics
CPP 37.2: Talk
Friday, February 29, 2008, 10:45–11:00, C 230
Molecular dynamics simulations of polymer brushes — •Gui-Li He1, Holger Merlitz1,2, Jens-Uwe Sommer2, and Chen-Xu Wu1 — 1Xiamen University, Department of Physics, 361005 Xiamen, China — 2Leibniz-Institut für Polymerforschung Dresden, 01069 Dresden, Deutschland
We have carried out molecular (Langevin) dynamics simulations of polymer brushes up to very high grafting densities. We report on the fluctuation properties, the excess free energy and the brush-crystallization at extreme grafting densities. The importance of finite extensibility in order to understand chain properties at high substrate coverage is demonstrated. Recent simulation results of mixed binary brushes are shown.
References: 1. Gui-Li He, Holger Merlitz, Jens-Uwe Sommer and Chen-Xu Wu, Static and dynamic properties of polymer brushes at moderate and high grafting densities: A molecular dynamics study, Macromolecules 40, p. 6721 (2007)
2. Gui-Li He, Holger Merlitz, Jens-Uwe Sommer and Chen-Xu Wu, Polymer brushes near the crystallization density, Eur. Phys. J. E (in press)