Physicochemical Study of Deep Eutectic Solvents Made of Choline Chloride or Betaine and Low Molecular Weight Glycols: Study of Density, Viscosity and Surface Tension
Deep eutectic solvents (DESs) are mixtures that have emerged as a potential alternative to ionic liquids due to their biodegradability, tuneability, and low cost. In recent times, DESs have gained attention for their potential applications in various fields. Therefore, it is essential to characteriz...
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| Format: | Dissertation |
| Language: | English |
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ProQuest Dissertations & Theses
01-01-2023
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| Online Access: | Get full text |
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| Summary: | Deep eutectic solvents (DESs) are mixtures that have emerged as a potential alternative to ionic liquids due to their biodegradability, tuneability, and low cost. In recent times, DESs have gained attention for their potential applications in various fields. Therefore, it is essential to characterize the physicochemical and transport properties of DES and understand their interactions with other solvents. In this study, DESs were made with betaine as a hydrogen bond acceptor (HBA) and a glycol (e.g., ethylene glycol, 1,2-propanediol, 1,3-propanediol, and 1,4-butanediol) as a hydrogen bond donor (HBD) in different molar ratios. The density, viscosity and surface tension of the prepared systems were measured over a temperature range of 20-60°C (30-60°C for surface tension) at 101.3 kPa. Under the same conditions, the properties were measured for the DES + water mixtures at HBA:HBD molar ratio of 1:6. Also, the choline chloride-based DESs with the same glycols at HBA:HBD molar ratio of 1:3 (every glycol) and 1:6 (only ethylene glycol) were measured at different water contents to evaluate the effect of the HBA on these properties. PC-SAFT, Free Volume Theory (FVT) and Density Gradient Theory (DGT) were used, respectively, to model the density, viscosity and surface tension measurements to see the effect of changing the temperature, the chain length of the HBD and the water content. Furthermore, classical molecular dynamics simulations were performed to obtain molecular insights into the mixtures and their solvation with water. The molecular information for these solvents, provided by the models fed from the performed experiments, allows for reducing the further experimental load when designing chemical processes. |
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| ISBN: | 9798384297031 |
| DOI: | 10.7764/tesisUC/ING/74216 |