PC-SAFT modeling of CO2 solubilities in hydrophobic deep eutectic solvents

The PC-SAFT 'pseudo-pure' approach was used for the modeling of CO2 solubilities in various hydrophobic deep eutectic solvents (DESs) for the first time. Only liquid density data were used to obtain the segment number, the temperature-independent segment diameter and the dispersion-energy parameter, as water activities cannot be obtained for hydrophobic substances. VLE data were successfully predicted without the need for any adjustable binary interaction kij. Thus, solubilities of CO2 in hydrophobic DESs could be approximated with the PC-SAFT model using parameters fitted to liquid densities only.