Issue 38, 2012
From the journal:

Physical Chemistry Chemical Physics

On the ideality of binary mixtures of ionic liquids†

Marc Brüssel,a   Martin Brehm,a   Alfonso S. Pensado,a   Friedrich Malberg,a   Muhammad Ramzan,b   Annegret Stark*b  and  Barbara Kirchner*a  

* Corresponding authors

a Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Universität Leipzig, Linnéstr. 2, D-04103 Leipzig, Germany
E-mail: bkirchner@uni-leipzig.de
Fax: +49 3419736399
Tel: +49 3419736401

b Institut für Technische Chemie, Universität Leipzig, Linnéstr. 3-4, D-04103 Leipzig, Germany
E-mail: annegret.stark@uni-leipzig.de

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

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Article information

DOI
https://doi.org/10.1039/C2CP41926B
Article type
Paper
Submitted
08 Jun 2012
Accepted
27 Jul 2012
First published
31 Jul 2012

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

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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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