High pressure density of tricyanomethanide-based ionic liquids: Experimental and PC-SAFT modelling
authors Navarro, P; Palma, AM; Garcia, J; Rodriguez, F; Coutinho, JAP; Carvalho, PJ
nationality International
journal FLUID PHASE EQUILIBRIA
author keywords Ionic liquids; High pressure density; PC-SAFT
keywords THERMOPHYSICAL PROPERTIES; EXTRACTIVE DISTILLATION; CARBON-DIOXIDE; IMIDAZOLIUM; CYANO; SEPARATION; EQUATION
abstract Tricyanomethanide-based ionic liquids (ILs) are, probably, the most interesting ILs for separation purposes considering their low viscosity and high thermal stability, but mainly due to their enhanced performance in a wide number of applications. However, the scarce high pressure density data (rho pT) limits the development of robust models for process simulation implementation and consequently process development. In this work, high pressure density data of 1-ethyl-3-methylimidazolium tricyanomethanide ([C(2)C(1)im] [TCM]) and 1 butyl-4-methylpyridinium tricyanomethanide ([4-C(4)C(1)py] [TCM]) are reported in a wide range of temperature (283-363) K and pressure (0.1-95) MPa. The new rho pT data and its derivative properties, namely isothermal compressibility (k(T)) and isobaric thermal expansivity (alpha(P)), of the studied ILs and that reported for the 1-butyl-3-methylimidazolium tricyanomethanide ([C(4)C(1)im][TCM]), were successfully modelled using the Perturbed-Chain Statistical Association Fluid Theory (PC-SAFT). New molecular parameters for the tricyanomethanide-based ILs are here proposed allowing a good description of the studied properties while assessing the well-known non-volatile character of the ILs. (C) 2020 Elsevier B.V. All rights reserved.
publisher ELSEVIER
issn 0378-3812
isbn 1879-0224
year published 2020
volume 520
digital object identifier (doi) 10.1016/j.fluid.2020.112652
web of science category Thermodynamics; Chemistry, Physical; Engineering, Chemical
subject category Thermodynamics; Chemistry; Engineering
unique article identifier WOS:000542075600005
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journal impact factor 2.838
5 year journal impact factor 2.454
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