Issue 33, 2007
From the journal:

Physical Chemistry Chemical Physics

Prediction of the vapor pressure and vaporization enthalpy of 1-n-alkyl-3-methylimidazolium-bis-(trifluoromethanesulfonyl) amide ionic liquids

Michael Diedenhofen,*a   Andreas Klamt,bc   Kenneth Marshd  and  Ansgar Schäfere  

* Corresponding authors

a COSMOlogic GmbH & Co. KG Burscheider Strasse 515, Leverkusen, Germany
E-mail: diedenhofen@cosmologic.de
Fax: +49(0)2171 731689
Tel: +49(0)2171 731684

b COSMOlogic GmbH & Co. KG Burscheider Strasse 515, Leverkusen, Germany
E-mail: klamt@cosmologic.de
Fax: +49(0)2171 731689
Tel: +49(0)2171 731681

c Inst. of Physical Chemistry, University of Regensburg, Regensburg, Germany

d Department of Chemical and Process Engineering, University of Canterbury, Christchurch, New Zealand
E-mail: ken.marsh@canterbury.ac.nz
Fax: +64 3 364 2063
Tel: +64 3 364 2140

e BASF AG, Scientific Computing, Ludwigshafen, Germany

Abstract

The vapor pressures and vaporization enthalpies of a series of 1-n-alkyl-3-methylimidazolium-bis-(trifluoromethanesulfonyl) amide ionic liquids have been predicted with two different approaches using the COSMO-RS method and quantum chemical gas phase calculations. While the calculated enthalpies are in good agreement with the experimental data, COSMO-RS seems to underestimate the vapor pressures by roughly 0.5–4 log units dependent on the IL and approach used.

Graphical abstract: Prediction of the vapor pressure and vaporization enthalpy of 1-n-alkyl-3-methylimidazolium-bis-(trifluoromethanesulfonyl) amide ionic liquids

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Article information

DOI
https://doi.org/10.1039/B706728C
Article type
Communication
Submitted
04 May 2007
Accepted
25 Jun 2007
First published
06 Jul 2007

Phys. Chem. Chem. Phys., 2007,9, 4653-4656

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Prediction of the vapor pressure and vaporization enthalpy of 1-n-alkyl-3-methylimidazolium-bis-(trifluoromethanesulfonyl) amide ionic liquids

M. Diedenhofen, A. Klamt, K. Marsh and A. Schäfer, Phys. Chem. Chem. Phys., 2007, 9, 4653 DOI: 10.1039/B706728C

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