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
isbn	1879-0224
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