Deep eutectic solvents (DES) have emerged as promising 'green' solvents, but their successful industrial application requires relatively low viscosity. DES prepared from choline chloride and glycols offer such possibility. Viscosity and density are reported for a number of DES obtained by mixing choline chloride and a glycol (ethylene glycol, 1,2-propanediol, 1,3-propanediol, and 1,4-butanediol). The measurements were performed at 101.3 kPa, at temperatures between 293.15 K and 333.15 K, and for different mole ratios of the glycol and choline chloride. The viscosity was measured with a capillary viscometer, while the density was measured by means of a vibrating U-tube densimeter. The density and viscosity data have expanded relative uncertainties of 0.2% and 2.0%, respectively, with a coverage factor of 2. The viscosity of pure glycols was modeled using the extended hard-sphere (EHS) model that has its basis in kinetic theory and the molecular description of the fluid. Each DES was treated as a binary mixture, and the EHS model was used, with a mole average mixing rule, to calculate its viscosity. The measured DES viscosity data were represented with the average absolute deviation of 1.4% and a maximum deviation of 7%.
Deep eutectic solvents (DES) are room-temperature liquid mixtures constituted of a hydrogen-bonding acceptor (HBA) and a hydrogen-bonding donor (HBD). They have high practical potential due to their versatility, quick preparation, and wide applications. Therefore, it is appropriate to have robust models to predict their properties. In this work, the density gradient theory has been combined with the perturbed-chain statistical associating fluid theory to model and understand the interfacial behavior in systems of deep eutectic solvents. DESs were modeled as mixtures of their constituents, and a methodology is proposed for estimating the chemical potential of DESs to extend their study to the interfacial properties. Available experimental data of hydrophilic and hydrophobic DESs were used to calculate the influence parameters, providing a way to linearize them in terms of the molecular parameters of HBDs and their molar ratio between HBD and HBA. This treatment has made it feasible to predict the thermal dependence of surface tension in most of the DESs analyzed with an average absolute relative deviation of 1.26%. Furthermore, density gradient theory and perturbed-chain statistical associating fluid theory were applied to predict the vapor−liquid surface tension in mixtures of organic compounds with DES. In particular, we have calculated the surface tension in mixtures of ChCl-glycerol and ChCl-lactic acid with water, ethanol, propanol, phenol, acetone, and ethyl acetate without fitting binary interaction parameters. The behavior of density profiles suggests that the surface is enriched with DES components for the DES + water mixtures. In contrast, it is enriched with diluent for the other ternary systems (ethanol, isopropanol, phenol, acetone, and ethyl acetate).
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