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Issue 38, 2012
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On the ideality of binary mixtures of ionic liquids

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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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Publication details

The article was received on 08 Jun 2012, accepted on 27 Jul 2012 and first published on 31 Jul 2012


Article type: Paper
DOI: 10.1039/C2CP41926B
Citation: 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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