Prediction and Correlation of High-Pressure Gas Solubility in Polymers with Simplified PC-SAFT

Abstract

Using simplified PC-SAFT we have modeled gas solubilities at high temperatures and pressures for the gases methane and carbon dioxide in each of the three polymers high-density polyethylene (HDPE), nylon polyamide-11 (PA-11), and poly(vinylidene fluoride) (PVDF). In general the results are satisfactory, using in most cases a single, temperature-independent value of the binary interaction parameter. In the cases of methane in HDPE and PVDF, a temperature-dependent binary interaction parameter was required. New pure component polymer parameters for PA-11 and PVDF were obtained using a recently developed prediction scheme which does not rely on binary experimental data.