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Issue 33, 2007
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Prediction of the vapor pressure and vaporization enthalpy of 1-n-alkyl-3-methylimidazolium-bis-(trifluoromethanesulfonyl) amide ionic liquids

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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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Publication details

The article was received on 04 May 2007, accepted on 25 Jun 2007 and first published on 06 Jul 2007


Article type: Communication
DOI: 10.1039/B706728C
Citation: 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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