Thermodynamic modeling of the solubility of acetylacetonate-type metal precursors in supercritical carbon dioxide using the PC-SAFT equation of state

Thermodynamic modeling of the solubilities of various acetylacetonate-type metal precursors in supercritical carbon dioxide was performed using the PC-SAFT (perturbed-chain statistical associating fluid theory) equation of state. Pure component parameters for the metal precursors (segment number, segment diameter, and dispersion energy) were determined by fitting to solubility data obtained from the literature. The PC-SAFT equation of state could correlate the literature data over wide temperature and pressure ranges for various precursors. The pure component PC-SAFT parameters obtained from these correlations were found to vary systematically with changes in the properties of the metal precursors, such as the molar masses of the precursors and of the metal centers, which could be generalized based on the physical meaning of each parameter. The generalized PC-SAFT parameters could reproduce the solubilities of the metal precursors in supercritical carbon dioxide to within 30% average relative deviation under almost all conditions, especially at temperature below 393 K.