Regensburg 2019 – wissenschaftliches Programm
Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe
DY: Fachverband Dynamik und Statistische Physik
DY 54: Poster: Complex, Fluids, Glasses, Granular
DY 54.8: Poster
Donnerstag, 4. April 2019, 15:00–18:00, Poster B2
Molecular dynamics study of structural and dynamic properties of ionic liquids at amorphous silica surfaces — •Robin Koester, Tamisra Pal, and Michael Vogel — Institut für Festkörperphysik, TU Darmstadt, Hochschulstraße 6, 64289 Darmstadt, Germany
Structural and dynamic properties of imidazolium-based ionic liquids change severely in
presence of rigid interfaces. Previous molecular dynamics studies of [Bmim][NTf2] revealed
layered structures and a considerable slowdown of dynamics in the layers next to amorphous
silica surfaces [1]. In recent simulation studies of [Bmim][PF6] and [Bmim][BF4] similar effects
for systems confined by amorphous silica slit pores were found [2]. For both anions preferential localization at irregularly distributed sites at the interface can be
observed. While these sites differ in volume and number of associated silanol groups,
favourable local structures appear to be a major determinant. Building on
the preceding studies, we relate the residence time to the structural properties of the silica surface near the adsorption sites to obtain a microscopic understanding for the mechanism of the slowdown in the interfacial layer. Additionally, we examine anion
dynamics by means of spatially resolved analysis of correlation functions. Further
investigations aiming for a better understanding of the slowed down dynamics involve the examination of anion dynamics in terms of hopping motion required to change site.
Li et al., Langmuir, 2013, 29, pp. 9744-9749
T. Pal and M. Vogel, J. Phys. Chem. C, 2018, 122, pp. 624-634