A model to predict the solubility and permeability of gaseous penetrant in the glassy polymeric membrane at high pressure

Abstract

In this work, the transport properties of gaseous penetrant through several dense glassy polymeric membranes are studied. The nonequilibrium lattice fluid (NELF) in conjunction with the modified Fick's law and dual mode sorption model was used to simulate the gas transport in glassy polymeric membranes. The approach is based on the sorption, diffusion, in which solubility is calculated based on the NELF model, and diffusion coefficient is obtained from the product thermodynamic coefficient and molecular mobility. The governing equation is solved by the finite element method using COMSOL multi‐physics software. The developed model for gas permeability of glassy polymeric membrane can be applied in a wide range of pressure and temperature. The comparison of the calculated permeability and solubility of gasses with the experimental data represented the ability of the developed model. Increasing feed gas temperature increases the gas permeability, while this variation leads to lower gas solubility in the glassy polymeric membranes. The effect of feed temperature and pressure on permeability and solubility is investigated, and the experimental data from literature are described by the developed model. A good prediction of the experimental data can be observed over the considered condition.

Modelling Sorption and Transport of Gases in Polymeric Membranes across Different Scales: A Review

“…Definitions of the variables used are reported in Appendix B. Some studies that have applied the NELF model in recent years have tested the model in a variety of systems and conditions, such as commodity polymers and high performance ones, both at low and high pressure, for light gases and condensable vapors, and with mixed-matrix membranes and semicrystalline materials [121,[150][151][152][153][154].…”

“…The overall approach was thus very similar to the one discus above, and it follows from the same assumptions, but the use of NRHB EoS may all finer description of the polymer and penetrants, in which specific interactions may occ As illustrated in Figure 14, only minor differences may be detected with respect to case in which the NELF model was used. Shoghl and coworkers [152] compared the results obtained transport model for glassy polymers with those obtained by using an diffusion coefficient derived from the dual-mode sorption relatio Shoghl and coworkers [152] compared the results obtained with the standard transport model for glassy polymers with those obtained by using an expression for the diffusion coefficient derived from the dual-mode sorption relation. In the case of non/swelling agents, the two approaches yielded comparable results.…”

Enhanced CO2 Capture by Sorption on Electrospun Poly (Methyl Methacrylate)

“…The solubility of high-pressure carbon dioxide into PMMA depends on the operating temperature and pressure. Specifically, subcritical carbon dioxide increases its solubility in the polymer as the temperature decreases [6,8,[17][18][19][20]. The interaction between the polymer side chains, composed of a methyl ester, and CO 2 was studied, inter alia, by ab initio calculations, FT-IR spectroscopy, and Raman spectroscopy, showing that the carbonyl group is involved in a Lewis acid-base relation with CO 2 [18,[21][22][23][24][25].…”