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Berlin 2008 – scientific programme

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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 Wu11Xiamen 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)

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