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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 2: Nanoparticles and Composite Materials

CPP 2.2: Talk

Monday, March 26, 2012, 09:45–10:00, C 243

Molecular dynamics study of tracer diffusion in hairy nano-channel: normal vs anomalous — •Rajarshi Chakrabarti, Stefan Kesselheim, Peter Košovan, and Christian Holm — Institute for Computational Physics, Universität Stuttgart, Pfaffenwaldring 27, 70569, Stuttgart, Germany

We carry out extensive molecular dynamics simulation to analyze the diffusion of tracer particles inside a cylindrical nano-channel randomly grafted inside with polymeric chains. We show that depending on the attraction between the tracer and the polymer an intermediate sub-diffusive behavior along the cylindrical axis can be observed but the long time diffusion is always normal. We also analyze the dependence of diffusion coefficient on the volume fraction of the grafted polymeric chains. Although simple the model presented here has the features of nuclear pore complex in the context of biological transport.