Isobaric and Isochoric Heat Capacities of Imidazolium-Based and Pyrrolidinium-Based Ionic Liquids as a Function of Temperature: Modeling of Isobaric Heat Capacity

The isobaric and isochoric heat capacities of seven 1-alkyl-3-methylimidazolium bis­(trifluoromethylsulfonyl)­imides, two 1-alkyl-1-methylpyrrolidinium bis­(trifluoromethylsulfonyl)­imides, and two bis­(1-alkyl-3-methylimidazolium) tetrathiocyanatocobaltates were determined at atmospheric pressure i...

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Bibliographic Details
Published in:Industrial & engineering chemistry research 2017-03, Vol.56 (9), p.2592-2606
Main Authors: Zorębski, Edward, Zorębski, Michał, Dzida, Marzena, Goodrich, Peter, Jacquemin, Johan
Format: Article
Language:English
Subjects:
Carbon
Cations
Chemical Sciences
Heat capacity
Ionic liquids
Mathematical models
or physical chemistry
Sound
Specific heat
Theoretical and
Thermal conductivity
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Summary:The isobaric and isochoric heat capacities of seven 1-alkyl-3-methylimidazolium bis­(trifluoromethylsulfonyl)­imides, two 1-alkyl-1-methylpyrrolidinium bis­(trifluoromethylsulfonyl)­imides, and two bis­(1-alkyl-3-methylimidazolium) tetrathiocyanatocobaltates were determined at atmospheric pressure in the temperature range from 293.15 to 323.15 K. The isobaric heat capacities were determined by means of differential scanning calorimetry, whereas isochoric heat capacities were determined along with isothermal compressibilities indirectly by means of the acoustic method from the speed of sound and density measurements. Based on the experimental data, as expected, the isobaric heat capacity increases linearly with increasing alkyl chain length in the cation of 1-alkyl-3-methylimidazolium bis­(trifluoromethylsulfonyl)­imides and no odd and even carbon number effect is observed. After critical comparison of the obtained data with the available literature data, the most reliable values are recommended. It has been also shown that, although the COSMOthermX calculations underestimated the isobaric heat capacity values whatever the temperature and the ionic liquid structure, the approach used during this work may be applied to estimate physical properties of non-single-charged ions as well. Additionally, based on the speeds of sound the thermal conductivities were calculated using a modified Bridgman relation.
ISSN:0888-5885
1520-5045
DOI:10.1021/acs.iecr.6b04780