Berlin 2018 – scientific programme

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 31: Modeling and Simulation of Soft Matter I (joint session CPP/DY)

CPP 31.3: Talk

Tuesday, March 13, 2018, 14:45–15:00, PC 203

Understanding the Dynamical Behavior of Twin Polymerization — Constantin Huster, Halit Taskin, and •Janett Prehl — Institut für Physik, Technische Universität Chemnitz, Chemnitz, Germany

Twin polymerization enables the formation of two different macro-molecular structures of organic-inorganic hybrid materials in one single process step. To investigate the dynamical behavior and the morphology of the reaction process and the final compounds we recently developed a Monte-Carlo based reactive bond fluctuation model (rBFM) [1] that is capable to cope with the complexity of the underlying reaction mechanism. Special feature of this rBFM is the possibility to define multiple reaction centers per monomer and multiple bond vectors between two monomers that exhibit different properties.

In this presentation we introduce the rBFM and analyze first results of the diffusive behavior of the reacting twin monomers over time. By doing so we gain insights into the structure formation process of twin polymerization.

[1] K.H.Hoffmann, J.Prehl, Reac Kinet Mech Cat DOI: 10.1007/s11144-017-1303-y