Issue 55, 2012
From the journal:

Chemical Communications

An elegant access to formation and vaporization enthalpies of ionic liquids by indirect DSC experiment and “in silico” calculations†

Sergey P. Verevkin,*a   Dzmitry H. Zaitsau,a   Vladimir N. Emel'yanenko,a   Christoph Schick,a   Saivenkataraman Jayaramanb  and  Edward J. Maginnc  

* Corresponding authors

a Department of Physical Chemistry, University of Rostock, Dr-Lorenz-Weg. 1, 18059 Rostock, Germany
E-mail: sergey.verevkin@uni-rostock.de
Fax: +49 381 498 6524
Tel: +49 381 498 6508

b Sandia National Laboratories, Albuquerque, New Mexico 87185, USA

c Department of Chemical and Biomolecular Engineering, University of Notre Dame, Notre Dame, IN 46556, USA

Abstract

We used DSC for determination of the reaction enthalpy of the synthesis of the ionic liquid [C4mim][Cl]. A combination of DSC and quantum chemical calculations presents a new, indirect way to study thermodynamics of ionic liquids. The new procedure was validated with two direct experimental measurements and MD simulations.

Graphical abstract: An elegant access to formation and vaporization enthalpies of ionic liquids by indirect DSC experiment and “in silico” calculations

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Article information

DOI
https://doi.org/10.1039/C2CC31504A
Article type
Communication
Submitted
28 Feb 2012
Accepted
15 May 2012
First published
16 May 2012

Chem. Commun., 2012,48, 6915-6917

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An elegant access to formation and vaporization enthalpies of ionic liquids by indirect DSC experiment and “in silico” calculations

S. P. Verevkin, D. H. Zaitsau, V. N. Emel'yanenko, C. Schick, S. Jayaraman and E. J. Maginn, Chem. Commun., 2012, 48, 6915 DOI: 10.1039/C2CC31504A

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