Experimental and computational assessment of the physicochemical properties of choline chloride/ ethylene glycol deep eutectic solvent in 1:2 and 1:3 mole fractions and 298.15–398.15 K

Deep eutectic solvents (DES) are engaging for their vast area of applicability, inexpensiveness, and easiness of handling compared to their ionic liquid analogous. In the current study, a set of DESs containing choline chloride/ ethylene glycol is synthesized in 1:2 and 1:3 M ratios. Physical properties of the prepared DESs including densities and viscosities were measured within the temperature range of 298.15–318.15 K at the pressure of 871 hPa. Moreover, a comparison between structural and physicochemical properties of these DESs was made by employing molecular dynamic simulation in a wide temperature range 298.15–398.15 K. The most reliable force filed model (FFM) for these eutectic mixtures acquired from the literature and exploited to get trustworthy physicochemical (density), transport (self-diffusion coefficient, viscosity, ionic conductivity), and some structural (radial distribution functions, spatial distribution function, hydrogen bonding) properties.