Dresden 2014 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 37: Poster Session 2

CPP 37.65: Poster

Mittwoch, 2. April 2014, 15:00–19:00, P3

An improved model for the simulation of patchy particles — •Reint Hieronimus and Andreas Heuer — Westfälische Wilhelms-Universität Münster, Institut für physikalische Chemie, Corrensstrasse 30, 48149 Münster, Germany

For the simulation of Janus particles and patchy particles the Kern-Frenkel model is widely used. However, this potential has severe shortcomings since energetically different configurations may yield the same model energy. To improve the potential, we supplemented the energy by an appropriately chosen factor which takes the patch distance into acccount. Using this potential, we perfomed Monte-Carlo simulations to investigate the self-assembly of Janus particles in two- and three-dimensional systems. We studied the phase formation depending on parameters such as temperature, density, patch number and patch size. The results were compared to the standard Kern-Frenkel model.