Solubilities and diffusion coefficients of high boiling compounds in supercritical carbon dioxide

Abstract

A brief introduction of the data sources and the applications of correlation methods for the solubilities and diffusion coefficients of high-boiling compounds (mainly in solid state) in supercritical carbon dioxide are reviewed. Empirical equations, equations of state, solution models, and the Monte Carlo simulation for the calculation of solubilities in supercritical carbon dioxide are discussed. The application of empirical equation based on the Stokes–Einstein model, rough hard sphere theory, Schmidt number correlation, and molecular dynamics simulation for the calculation of diffusion coefficients in supercritical carbon dioxide at infinite dilution condition are reviewed. Further, the application of the Darken equation and the Leffler and Cullinan equation for the calculation of concentration dependence of diffusion coefficients in supercritical carbon dioxide is presented.