Abstract

The aim of this study was to develop a model that predicts the gas solubility and the sorption and desorption kinetics in polymer granulates over large temperature and pressure intervals. Besides the part predicting the solubility and diffusivity, the model involves the simultaneous solution of the diffusion equation and the heat equation in three dimensions using a finite element method (FEM). When the temperature- and pressure-dependent solubility of a specific polymer/gas combination is not known, an improved version of the non-equilibrium lattice fluid model (NELF) is used to predict the solubility. The improvement of the NELF model includes the use of Hansen’s solubility parameters, and it uses pressure–volume–temperature (PVT) data from two new empirical models, which accurately estimate polymer densities over a wide range of temperatures and pressures. The new solubility model predicted the solubility–pressure data of N2 in poly(ethyl methacrylate) and N2 and CH4 in polycarbonate (PC) at pressures ...

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