Novel Correlation for Solubility of Gases in Polymers: Effect of Molecular Surface Area of Gases

摘要

Novel correlations are proposed for the solubility coefficients of gases (S) as well as the parameters of the dual mode sorption istherms k_D and b in polymers. They are based on the concept fo molecular surface areas of dissolved species. Van der Waals surface areas (WSA) as estimated using UNIFAC group contributions and solvent accessible surface areas (SASA) were considered as possible parameters for correlations. Excellent dependencies iwth correlation coefficients R in the range 0.95-0.99 were obtained for the correlations of In S, In k_D, and In b with surface area.