Dresden 2020 – scientific programme
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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: Talk
Wednesday, March 18, 2020, 10:30–10:45, ZEU 255
Morphology on Reaction Mechanism Dependency for Twin Polymerization — •Janett Prehl1, Robin Masser1, Peter Salamon2, and Karl Heinz Hoffmann1 — 1Insitut 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