Berlin 2015 – scientific programme
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 48: P13: Charged Soft Matter
CPP 48.8: Poster
Wednesday, March 18, 2015, 10:00–13:00, Poster A
Solvation of model spheres in different ionic liquids — •Volker Lesch1, Andreas Heuer1, Christian Holm2, and Jens Smiatek2 — 1Institut für physikalische Chemie, Westfälische Wilhelms-Universität Münster — 2Institut für Computerphysik, Universität Stuttgart
Due to their ionic properties ionic liquids are considered to be solvents for the future. Furthermore, their toxic level is low compared with other solvents. However, in the literature only the solvation of cellulose and zinc finger is investigated via molecular dynamics but no general discussion of solvation effects is available.
In this study, we focus on the solvation of charged and uncharged model spheres in 1-ethyl-3-methylimidazolium (emim) with the anions chloride, tetrafluoroborate, acetate and bis(trifluoromethanesulfonyl)imide. Beside the investigation of different anions, we also simulate the model spheres with different є values. We found a dramatic influence of the anion size on the structuring of the ionic liquid, especially for the charged spheres.