Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
11026949 | Journal of Molecular Liquids | 2018 | 33 Pages |
Abstract
In this computational study, we investigate the morphology and dynamics of nanostructures formed by the ionic liquid 1âdodecylâ3âmethylimidazolium chloride [C12mim]Cl dissolved in water. Recent works emphasize the positive impact of this additive on various catalytic transformations. The assembling process revealed by molecular dynamics simulation is discussed in detail. For verification, small-angle X-ray scattering diffractograms and dielectric relaxation spectra are calculated from the trajectories and compared to experimental ones. For the latter, we offer an alternative hypothesis to the contemporary interpretation based on our component analysis.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Philipp Honegger, Michael Schmollngruber, Gerhard Hagn, Omar Baig, Cornelia von Baeckmann, Othmar Steinhauser, Christian Schröder,