High-Pressure Density of Bis(1-alkyl-3-methylimidazolium) Tetraisothiocyanatocobaltate Ionic Liquids: Experimental and PC-SAFT with Volume-Shift Modeling
authors Navarro, P; Palma, AM; Garcia, J; Rodriguez, F; Coutinho, JAP; Carvalho, PJ
nationality International
journal JOURNAL OF CHEMICAL AND ENGINEERING DATA
keywords EXTRACTION; 2,2,2-TRIFLUOROETHANOL; EQUATION
abstract Tetraisothiocyanatocobaltate-based ionic liquids (ILs) have shown interesting thermophysical properties, mainly surprisingly low melting points and moderate viscosity. In addition, they have been tested to separate aromatics from aliphatics because of the high molar relation between cyano groups per molecule, with highlighted results. In this work, high-pressure density data (rho pT) were measured for bis(1-alkyl-3-methylimidazolium) tetraisothiocyanato-cobaltate ILs ([C(n)C(1)im](2)[Co(NCS)(4)]) (n = 1, 2) over wide ranges of temperature (283-363 K) and pressure (0.1-95 MPa). The new rho pT data and derivative properties, namely, the isothermal compressibility and isobaric expansivity, were successfully modeled with perturbed-chain statistical association fluid theory (PC-SAFT) and using the so-called volume shift, allowing us to propose a new molecular model and parameters for these solvents. The proposed model for tetraisothiocyanatocobaltate-based ILs is shown to be robust enough to model the phase equilibria of this new class of compounds.
publisher AMER CHEMICAL SOC
issn 0021-9568
year published 2019
volume 64
issue 11
beginning page 4827
ending page 4833
digital object identifier (doi) 10.1021/acs.jced.9b00334
web of science category Thermodynamics; Chemistry, Multidisciplinary; Engineering, Chemical
subject category Thermodynamics; Chemistry; Engineering
unique article identifier WOS:000497260400023
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journal impact factor 2.196
5 year journal impact factor 2.331
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