Modeling of carbon dioxide and water sorption in glassy polymers through PC-SAFT and NET PC-SAFT

Abstract

In this work, perturbed-chain statistical associating fluid theory (PC-SAFT) and its combination with the NET-GP (non-equilibrium thermodynamics of glassy polymer) model were both used to better understand both CO2 and water sorption in glassy polymers. For CO2 sorption in poly(methyl methacrylate) (PMMA) the NET PC-SAFT model provides excellent predictions, reflective of the glassy state of this polymer. A poor result is obtained by the PC-SAFT model, which does not account for the non-equilibrium nature of such systems. However, it is a different case for water sorption in polylactic acid (PLA) and PMMA. The PC-SAFT model successfully fitted the water sorption isotherms at three different ..