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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 45: Modeling and Simulation of Soft Matter IV
CPP 45.3: Vortrag
Donnerstag, 21. März 2024, 15:30–15:45, H 0111
Scaling Properties of Tree-like Regular Polymeric Fractals — •Ron Dockhorn1 and Jens-Uwe Sommer1,2 — 1Leibniz-Institut für Polymerforschung Dresden e.V., D-01069 Dresden, Germany — 2Technische Universität Dresden, Institut für Theoretische Physik, D-01069 Dresden, Germany
This study compares regular polymeric Vicsek- and T-fractals with dendrimers using theory and simulations. While all structures show exponential growth in the number of monomers and terminal groups, their structural properties differ significantly. Computer simulations are conducted to analyze the scaling properties of these tree-like self-similar polymeric fractals, using the Bond-Fluctuation-Model with the Metropolis method and the parallelized Wang-Landau algorithm. The radius of gyration, scattering intensity, and θ-point of these systems are examined to study the coil-globule transition of the polymeric fractals. A mean field theory is applied to determine the scaling exponent in different solvent conditions, which is found to be in fair agreement with the simulation data. A transition from almost linear chain behavior to a spherical shape is observed, and this can be controlled by the inherent functionality of the building blocks. Consequently, polymeric fractals can serve as an alternative to dendrimers in the category of hyperbranched polymers.
Keywords: Monte Carlo; Simulation; Polymer; Fractal; Bond-Fluctuation-Model