Separation of methanol and ethanol from azeotropic MTBE mixtures using choline chloride-based deep eutectic solvents

In this study, the performance of five different choline chloride - based deep eutectic solvents (DESs), including ChCl - urea, ChCl - ethylene glycol, ChCl - glycerol, ChCl - 1,2-propanediol, and ChCl - glucose, has been experimentally and computationally investigated for the purpose of liquid - liquid extraction at 298.15 K and 1 atm. In this regard, the effect of them on the extraction efficiency to separate methanol and ethanol from azeotropic systems, methyl tert-butyl ether (MTBE) + ethanol and MTBE + methanol, is studied. To synthesize these DESs, chlorine chloride as a hydrogen bond acceptor (HBA) is blended with urea, ethylene glycol, glycerol, 1,2-propanediol, and glucose as hydrogen bond donors (HBDs). Through the investigation, it is revealed that all the studied DESs deliver a distribution coefficient, b, that is higher than unity (b > 1). Similarly, the measured selectivities for these DESs have presented values that are far greater than unity (S >> 1). This is advantageous as it demonstrates their industrial applications. Furthermore, to have a better view of how effective they are in terms of the extraction capacity, the experimental data have been compared to the performance of ionic liquids used for the liquid - liquid extraction of MTBE + methanol. The reliability of the tie-line compositions was checked by applying the Othmer-Tobias equation. Additionally, to show the consistency, UNIQUAC Functional-group Activity Coefficients (UNIFAC) as a thermodynamic model has been employed to predict the equilibrium tie-lines. The predicted data is compared with the experimentally measured data through the calculation of the root-mean-square deviation (RMSD), showing that both predicted and experimental data are in a good agreement together.(c) 2023 Elsevier B.V. All rights reserved.