Berlin 2015 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 32: P4: Computational Physics of Soft Matter

CPP 32.8: Poster

Dienstag, 17. März 2015, 14:00–16:00, Poster B

Monte Carlo Studies on dendrimers with special terminal-groups at different solvent conditions — •Martin Wengenmayr, Jens-Uwe Sommer, and Ron Dockhorn — Leibniz Institute of Polymer Research Dresden, Germany

Monte Carlo Simulations of high generation dendritic polymers at different solvent conditions are performed using the Bond Fluctuation Model on CPU and GPU. Different solvent conditions are applied using explicit solvent. In order to comply with the wide range of dendrimer modifications different terminal groups, for instance flexible linear chains, were attached. Static and dynamic properties like the radius of gyration, the gyration tensor and the conformation of subunits are investigated in detail. We expect that our results help to understand the swelling and collapse of a dendrimer as a carrier molecule for drug delivery processes.