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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 69: Focus: Fundamentals of molecular liquids, ionic liquids and mixtures II
CPP 69.10: Vortrag
Mittwoch, 18. März 2020, 18:00–18:15, ZEU 222
Chain length dependent structure and dynamics of imidazolium based ionic liquids mixtures with water. — •Sebastian Kloth and Michael Vogel — TU Darmstadt, Institut für Physik kondensierter Materie, Hochschulstr. 6, 64289, Darmstadt, Germany
With the huge amount of possible combinations, ionic liquids can be tailored to different properties and applications. In particular, the application as a "green" solvent is of high interest. For this a fundamental understanding of structure and dynamics on the composition of the ionic liquid is needed. Moreover it is important to analyze of the properties in mixtures with other substances, in particular water. To obtain a better understanding of these properties we perform molecular dynamics simulations. The studied ionic liquids are made of 1-alkyl-3-methylimidazolium cations and BF4 or NO3 anions and contain water. As in previous studies [1,2] we analyze structure and dynamics on various length scales, but this time for different alkyl chain lengths and water mole fractions. Of special interest are two properties of the mixtures. First, the existence of structural inhomogeneity and second, the transport between different clusters. Thus, our approach enables detailed insights into structure-dynamics relations in ionic liquids.
[1] Pal, T. et al., ChemPhysChem, 18 (16), 2017
[2] Pal, T. et al., J. Chem. Phys., 150 (12), 2019