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Excess Molar Volumes and Excess Molar Enthalpies in Binary Systems N-alkyl-triethylammonium bis(trifluoromethylsulfonyl)imide + Methanol
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SYSNO ASEP 0422551 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Excess Molar Volumes and Excess Molar Enthalpies in Binary Systems N-alkyl-triethylammonium bis(trifluoromethylsulfonyl)imide + Methanol Author(s) Machanová, Karolina (UCHP-M) RID, SAI
Troncoso, J. (ES)
Jacquemin, J. (GB)
Bendová, Magdalena (UCHP-M) RID, ORCID, SAISource Title Fluid Phase Equilibria. - : Elsevier - ISSN 0378-3812
Roč. 363, FEB 15 (2014), s. 156-166Number of pages 11 s. Language eng - English Country NL - Netherlands Keywords ionic liquids ; excess properties ; binary mixtures Subject RIV CF - Physical ; Theoretical Chemistry Institutional support UCHP-M - RVO:67985858 UT WOS 000331494600019 DOI 10.1016/j.fluid.2013.11.025 Annotation In the present paper, a study on the influence of the alkyl chain length in N-alkyl-triethylammoniumbis(trifluoromethylsulfonyl)imide ionic liquids, [NR,222][Tf2N] (R = 6, 8 or 12), on the excess molar enthalpyat 303.15 K and excess molar volume within the temperature interval (283.15–338.15 K) of ionic liq-uid + methanol mixtures is carried out. Small excess molar volumes with highly asymmetric curves (i.e.S-shape) as a function of mole fraction composition were obtained, with negative values showing in themethanol-rich regions. The excess molar volumes increase with the increase of the alkyl-chain length ofthe ammonium cation of the ionic liquid and decrease with temperature. The excess enthalpies of selectedbinary mixtures are positive over the whole composition range and increase slightly with the length ofthe alkyl side-chain of the cation on the ionic liquid. Both excess properties were subsequently correlatedusing a Redlich–Kister-type equation, as well as by using the ERAS model. From this semipredictive modelthe studied excess quantities could be obtained from its chemical and physical contribution. Finally, theCOSMOThermX software has been used to evaluate its prediction capability on the excess enthalpy forinvestigated mixtures at 303.15 K and 0.1 MPa. From this work, it appears that COSMOThermX methodpredicts this property with good accuracy of approx. 10%, providing at the same time the correct orderof magnitude of the partial molar excess enthalpies at infinite dilution for the studied ILs, HE,∞1, andmethanol, HE,∞2. Workplace Institute of Chemical Process Fundamentals Contact Eva Jirsová, jirsova@icpf.cas.cz, Tel.: 220 390 227 Year of Publishing 2015
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