Prediction of the vapor pressure and vaporization enthalpy of 1-n-alkyl-3-methylimidazolium-bis-(trifluoromethanesulfonyl) amide ionic liquids.
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.
Diedenhofen
Michael
M
COSMOlogic GmbH & Co, KG Burscheider Strasse 515, 51381, Leverkusen, Germany. diedenhofen@cosmologic.de
Klamt
Andreas
A
Marsh
Kenneth
K
Schäfer
Ansgar
A