Eutectic solvents are tunable for targeted applications through the functional groups in their hydrogen bond acceptor (HBA) and hydrogen bond donor (HBD) components, as well as the HBA:HBD composition ratio. This study examines the properties of choline-based eutectics containing imidazole, phenol, pyrrole-2-carbonitrile, and 1,2,4-triazole HBAs, and ethylene glycol, propylene glycol, and ethanolamine HBDs. The viscosity, conductivity, degree of hydrogen bonding, thermal stability, and solvatochromic properties are examined as a function of HBA, HBD, and the composition. These studies revealed a predominant dependence of physical properties on the HBD and determined that the strong hydrogen bonding in phenol and imidazole based system lead to higher viscosities and lower conductivities– critical parameters for CO2 capture and electrochemical conversion. The developed eutectic solvents were further evaluated in terms of their potential for CO2 capture capacity and electrochemical stabilities. Solvatochromic properties were found to correlate with CO2 capacities, demonstrating the tunability of these solvents for CO2 capture. The quantitative structure-property relationship (QSPR) analysis demonstrated the ability to predict viscosities and CO2 capture capacities (< 25% deviation) through multi linear regression method utilizing five molecular descriptors. This work highlights the role of functionalized HBAs and HBDs on the physical, thermal, and electrochemical properties of eutectic solvents as they relate to CO2 capture and electrochemical processes.
Composition-Property Relationships of Choline Based Eutectic Solvents: Impact of the Hydrogen Bond Donor and CO2 Saturation
14 December 2023, Version 1
This content is a preprint and has not undergone peer review at the time of posting.