Prediction of volumetric properties of carbon dioxide-expanded organic solvents using the Predictive Soave–Redlich–Kwong (PSRK) equation of state

In this study, the Predictive Soave–Redlich–Kwong (PSRK) EOS is adopted for predicting the volumetric properties of carbon dioxide (CO2)-expanded organic solvents including the volume expansions, molar volume fractions and partial molar volumes of the solvent. The solvent systems considered in this study include hydrocarbons, alcohols, esters, ketones and other organic solvents. In addition to acceptable prediction of the volumetric properties, the PSRK EOS also provides the ability to predict solubilities of a solid solute in a CO2-expanded organic solvent. This study demonstrates that the PSRK EOS is a simple model with sufficient accuracy and predictive ability for evaluation of the volumetric properties and solubilities of solid solutes in CO2-expanded organic solvents. In addition, analysis of predicted results by molecular parameters and improvement of volumetric property calculations using a translated-volume are also discussed.

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► The volumetric properties of CO2-expanded organic solvents are predicted satisfactory.
► Prediction of the solid solubilities in CO2-expanded organic solvent is successful.
► Analysis and improvement of the predicted results are discussed and demonstrated.