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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 6: Poster Session II
CPP 6.17: Poster
Dienstag, 28. September 2021, 17:30–19:30, P
Polymer Architectures by Chain Walking Catalysis - Topological Transition From Linear Chains to Dendrimers — •Ron Dockhorn1, Laura Plüschke1, 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
Chain walking (CW) catalysis is a unique approach to synthesize dendritic polyethylenes by a "walking" Pd-α-diimine catalyst into a variety of complex branch-on-branch architectures. Coarse-grained Monte Carlo simulations utilizing the bond fluctuation model of the CW process are performed to investigate the influence of the walking mechanism on the polymer topology. Two distinct regimes can be identified: For low walking rates the structure growths with linear chain extension and low amounts of side chains, whereas high walking rates promote random and isotropic dendritic growth of the molecule. The transition regime is characterized by large amount of branched side chains reflecting a cross-over regime with characteristics of disordered dendronized bottle-brushes controllable by the walking rate of the catalyst. SANS experiments of the CW-polymerized ethylenes are compared to simulation data verifying the observed macro-conformational transitions. The CW one-pot preparation setup tunable by external parameters provides a powerful synthesis route to create dendrigrafts / dendronized polymers.