Thermodynamic characterization of deep eutectic solvents at high pressures
authors Crespo, EA; Costa, JML; Palma, AM; Soares, B; Martin, MC; Segovia, JJ; Carvalho, PJ; Coutinho, JAP
nationality International
journal FLUID PHASE EQUILIBRIA
author keywords Deep eutectic solvents; SAFT; Cholinium chloride; Density; Viscosity
keywords DIRECTIONAL ATTRACTIVE FORCES; EQUATION-OF-STATE; PLUS ETHYLENE-GLYCOL; CHOLINE-CHLORIDE; IONIC LIQUIDS; AQUEOUS MIXTURES; PERTURBATION-THEORY; DYNAMIC VISCOSITY; FRICTION THEORY; HYDROCARBON MIXTURES
abstract Despite the large spectrum of applications being reported for DESs over the last decade, their thermodynamic characterization is often neglected, hindering a better understanding of their nature, and the development of accurate and robust thermodynamic models to describe them, "essential for the conceptual and design stages of new industrial processes. This work aims at decreasing such a gap in literature by reporting new experimental density and viscosity data in wide temperature and pressure ranges for the three archetypal DESs of cholinium chloride, as hydrogen bond acceptor, combined with either ethylene glycol, glycerol, or urea, as hydrogen bond donor. The experimental data measured in this work were then correlated using the Perturbed Chain - Statistical Associating Fluid Theory equation of state coupled with the Free Volume Theory to assess the performance of existing coarse-grained models when applied to the description of DESs. The modelling results obtained highlight the limitation of the existing models, since a correct prediction of DES density could not be achieved, reinforcing the need for viable alternative approaches for the development of coarse-grained models that are appropriate for the thermodynamic modelling of DESs. (C) 2019 Elsevier B.V. All rights reserved.
publisher ELSEVIER
issn 0378-3812
year published 2019
volume 500
digital object identifier (doi) 10.1016/j.fluid.2019.112249
web of science category Thermodynamics; Chemistry, Physical; Engineering, Chemical
subject category Thermodynamics; Chemistry; Engineering
unique article identifier WOS:000487178200004
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journal analysis (jcr 2017):
journal impact factor 2.197
5 year journal impact factor 2.214
category normalized journal impact factor percentile 57.695
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