Prediction of solid solute solubility in supercritical carbon dioxide with and without organic cosolvents from PSRK EOS

Abstract

Solid solute solubility in supercritical carbon dioxide (ScCO2) with and without organic cosolvents provides important information for design and optimization of processes involving ScCO2 in industry. The accuracy of PSRK EOS in predicting solid solute solubility in ScCO2 with and without organic cosolvents is systematically investigated in this study. The first-principles thermodynamic model PR + COSMOSAC EOS and four well-known group contribution models are used to estimate critical properties and acentric factors for all solid solutes to overcome the lack of experimental critical properties for most investigated solid solutes. The results show that combining PSRK EOS with pure substance properties from a certain group contribution model provides the lowest overall deviations, but those from the first-principles thermodynamic model give greater accuracy for solutes with complicated molecular structures. In general, the PSRK EOS is able to provide useful solubility information, especially when no experimental data is available.