Modeling the Solubility of Ferrocene in Supercritical CO₂ via PC-SAFT Using Solubilities Data Measured in Organic Solvents

Developing a modeling method for determining the solubilities of metal complexes in supercritical CO2 is crucial designing an effective CO2-based deposition technique. This study aimed to model solubility ferrocene, typical precursor metallic iron, CO2, which was achieved using perturbed-chain statistical associating fluid theory (PC-SAFT) conjunction with experimental data organic solvents. Pure-component PC-SAFT parameters ferrocene were derived by fitting complex solvents, and these subsequently used estimate CO2. The resulting isothermal isobaric accurately described over wide range pressures this comparison values.