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Dresden 2020 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 58: Modelling and Simulation of Soft Matter I (joint session CPP/DY)

CPP 58.4: Vortrag

Mittwoch, 18. März 2020, 10:30–10:45, ZEU 255

Morphology on Reaction Mechanism Dependency for Twin Polymerization — •Janett Prehl1, Robin Masser1, Peter Salamon2, and Karl Heinz Hoffmann11Insitut für Physik, Technische Universität Chemnitz, Chemnitz, Germany — 2Department of Mathematics and Statistics, San Diego State University, San Diego, USA

Within this presentation we will present our latest results [1] on the analysis of the structure formation process of twin polymerization via a previously introduced lattice-based Monte Carlo method, the reactive bond fluctuation model [2]. We analyze the effects of the model parameters, such as movability, attraction, or reaction probabilities on structural properties, like the specific surface area, the radial distribution function, the local porosity distribution, or the total fraction of percolating elements. From these examinations, we can identify key factors to adapt structural properties to fulfill desired requirements for possible applications. Hereby, we point out which implications theses parameter changes have on the underlying chemical structure.
[1] Hoffmann, K.H. and Prehl, J., Reac. Kinet. Mech. Cat. 123 (2018) 367-383; Huster, C., Nagel, K., Spange, S., and Prehl, J., Chem. Phys. Lett. 713 (2018) 145-148
[2] Prehl, J. and Huster, C., polymers 11 (2019) 878

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