Ab initio molecular dynamics simulations of a binary system of ionic liquids |
| |
| Authors: | Brüssel Marc Brehm Martin Voigt Thomas Kirchner Barbara |
| |
| Institution: | Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Universit?t Leipzig, Linnéstr. 2, D-04103 Leipzig, Germany. |
| |
| Abstract: | This work presents first insights into the structural properties of a binary mixture of ionic liquids from the perspective of ab initio molecular dynamics simulations. Simulations were carried out for a one-to-one mixture of 1-ethyl-3-methyl-imidazolium thiocyanate and 1-ethyl-3-methyl-imidazolium chloride and compared to pure 1-ethyl-3-methyl-imidazolium thiocyanate. |
| |
| Keywords: | |
| 本文献已被 PubMed 等数据库收录！ |
|
