Berlin 2018 – wissenschaftliches Programm
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 31: Modeling and Simulation of Soft Matter I (joint session CPP/DY)
CPP 31.2: Vortrag
Dienstag, 13. März 2018, 14:30–14:45, PC 203
Polymer Topology by Chain Walking Polymerization Catalysis — •Ron Dockhorn1,2, Albena Lederer1, Jan Merna3, and Jens-Uwe Sommer1,2 — 1Leibniz-Institut für Polymerforschung Dresden e.V., D-01069 Dresden, Germany — 2Technische Universität Dresden, Institute for Theoretical Physics, D-01069 Dresden, Germany — 3University of Chemistry and Technology Prague, CZ-16628 Praha, Czech Republic
Monte Carlo simulations of the chain walking polymerization catalysis (CW) are performed using the bond fluctuation model to investigate the influence of the walking mechanism on the polymer topology at a given molecular weight. In agreement to previous findings, for high reaction probability/slow walking the structure growths with linear chain extensions. On the other hand, for low reaction probability/fast walking the structures show dendritic growth of the polymer. The transition region is characterized by large amount of branched side chains reflecting a cross-over regime with linear global features and dendritic local sub-structures. This is in contrast to the Zimm-Stockmayer hyperbranched (ZS-HB) scaling. Static properties are investigated by means of radius of gyration and scattering function of perfect dendrimers, ZS-HB, and CW-structures. A generalized mean-field model is applied, and is found in fair agreement with the simulation data under good solvent conditions. These findings are aimed to understand the physical properties related with the topology of the CW-structures to improve the synthesis of a new class of hyperbranched molecules.