Dresden 2009 – wissenschaftliches Programm
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 13: POSTERS Polymer Physics
CPP 13.18: Poster
Dienstag, 24. März 2009, 14:00–16:30, P3
Adsorption of nano-particles on polymer brushes — •Huilan Zhang1, Holger Merlitz2, and Jens-Uwe Sommer1 — 1Leibniz-Instituts für Polymerforschung Dresden, Germany — 2Department of Physics, Xiamen University, Xiamen, PRC
We investigate the interaction of nano-particles with polymer brush using molecular dynamics simulations. The adsorption properties of particles and the equilibrium structure of the polymer brush (thickness, monomer density profile, distribution of end monomers) are studied at different grafting densities and temperatures. A stretch-collaps transition is found for the particle-brush complex at a threshold temperature T0, depending on the particle size and grafting density. At high temperatures, above T0, due to the dominant excluded volume effect the brush will stretch out and increase the coverage of the particles inside the brush by decreasing the temperature. For temperatures lower than T0, the increasing contacts between the particles and monomers will drive the brush into a compact brush-particle complex. We found a maximum particle number trapped in the brush and a maximum loading capacity of the brush for a given brush-particle configuration. Additionally, the influence of particle size and chain length of polymer on the behavior of the brush-particle complex has been studied.