Type V deep eutectic solvents based on monoterpenoids (Carvone, Cineole, Citral, Camphor, Piperitone, Linoleic) were investigated in both experimental and theoretical approach. The studied solvents have hydrophobic nature. The theoretical studies via first principal calculations and classical molecular dynamics simulations provided a nanoscopic characterization of the fluids, particularly for the hydrogen bonding network and its relationship with the macroscopic properties. The experimental study determined the solubilities of carbon dioxide (CO2) and nitrogen (N2) via state of the art isochoric based sorption apparatus. The type V solvents were experimented at 25°C and 35°C isotherms and pressures up to 40 bars. Material characterization including Fourier transform infrared and thermal gravimetric analysis were obtained. The experimental heat of absorption of CO2 presented as a function of pressure, and the CO2 sorption kinetics were presented based on the fractional amount of absorbed CO2 versus time. The results demonstrated that the solubility of CO2 and N2 in monoterpenoid-based hydrophobic deep eutectic solvents increased with increasing pressure and decreasing temperature. In addition to their hydrophobic nature, high CO2 sorption performance with rapid CO2 solubility rate make these eutectic solvents an excellent candidate for future carbon management applications.

Carbon dioxide (CO2) and nitrogen (N2) gas capture by type V deep eutectic solvents based on monoterpenoids

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