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• W2077188569 endingPage "8663" @default.
• W2077188569 startingPage "8655" @default.
• W2077188569 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 below 4.5 MPa, without using any adjustable interaction parameters. The model was used to predict the solubility of N2 in poly(ether-ether-ketone) (PEEK) and PC at a very high pressure (67 MPa). Experimental N2 solubility data were obtained with a specially built reactor yielding high pressure and temperature. For PEEK, it was possible to predict the very high pressure solubility using a gas–polymer interaction parameter obtained from data taken at low pressures. In addition, a new free-volume-based diffusivity model requiring no adjustable interaction parameters was developed, and it successfully predicted the desorption kinetics of N2 from PEEK and PC." @default.
• W2077188569 created "2016-06-24" @default.
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• W2077188569 date "2012-08-22" @default.
• W2077188569 modified "2023-09-30" @default.
• W2077188569 title "Predicting Solubility and Diffusivity of Gases in Polymers under High Pressure: N₂ in Polycarbonate and Poly(ether-ether-ketone)" @default.
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• W2077188569 doi "https://doi.org/10.1021/ie300975h" @default.
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