Issue 38, 2012

On the ideality of binary mixtures of ionic liquids

Abstract

In this work, structural and dynamical properties of the binary mixture of 1-ethyl-3-methyl-imidazolium chloride and 1-ethyl-3-methyl-imidazolium thiocyanate are investigated from ab initio molecular dynamics simulations and compared to the pure ionic liquids. Furthermore, the binary mixture is simulated with two different densities to gain insight into how the selected density affects the different properties. In addition, a simple NMR experiment is carried out to investigate the changes of the chemical shifts of the hydrogen atoms due to the composition of the mixture.

Graphical abstract: On the ideality of binary mixtures of ionic liquids

Supplementary files

Article information

Article type
Paper
Submitted
08 Jun 2012
Accepted
27 Jul 2012
First published
31 Jul 2012

Phys. Chem. Chem. Phys., 2012,14, 13204-13215

On the ideality of binary mixtures of ionic liquids

M. Brüssel, M. Brehm, A. S. Pensado, F. Malberg, M. Ramzan, A. Stark and B. Kirchner, Phys. Chem. Chem. Phys., 2012, 14, 13204 DOI: 10.1039/C2CP41926B

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