Modeling gas sorption in amorphous Teflon through the non equilibrium thermodynamics for glassy polymers (NET-GP) approach

Abstract: The solubility of C2H6 and C2F6 in two amorphous glassy fluoropolymers, Teflon® AF1600 and AF2400, has been modeled with the non equilibrium statistical associating fluid (NE-SAFT) and non equilibrium perturbed hard sphere chain (NE-PHSC) theories. Experimental swelling data during sorption are available to obtain a complete prediction of the solubility isotherms at 35°C. The solubility of C2F6 in both fluoropolymers is rather satisfactorily predicted by the models with no adjustable parameters, while that of C2H6 is overestimated, and a correction factor equal to about 0.90 must be applied on the binary energetic interactions estimated with the first approximation mixing rule. This result, combined with what previously obtained with the NE-lattice fluid (NE-LF) model, reveals inadequate representation of the hydrocarbon solubility in fluoropolymers by the geometric mean rule used to estimate the binary energetic interactions. [Copyright &y& Elsevier]