Mixed gas sorption in glassy polymeric membranes. III. CO2/CH4 mixtures in a polymer of intrinsic microporosity (PIM-1): Effect of temperature

Modelling Mixed-Gas Sorption in Glassy Polymers for CO2 Removal: A Sensitivity Analysis of the Dual Mode Sorption Model

“…While those data constitute a valuable benchmark of the materials properties, pure-gas tests are often insufficient to infer how the materials will behave in mixed-gas conditions. Mixed-gas permeation and sorption experiments have shown significant deviations from pure-gas (“ideal”) behavior, both positive and negative [18,21,24,25,26]. In order to properly design a separation operation, it is necessary to characterize the relevant materials properties, namely its permeability and selectivity, as close as possible to the actual operating conditions, which can vary depending on the origin of the gaseous stream to be treated.…”

“…The present work is aimed at modelling gas solubility in high free volume glassy polymers both in pure- and mixed-gas conditions using the multicomponent version of the DMS model [76]. In particular, the sorption of CO 2 /CH 4 mixtures in PTMSP, PIM-1 and TZ-PIM at several compositions and temperatures was studied, using experimental data presented in previous works to validate the results of the calculations [24,25,26,48]. The characterization of mixed-gas sorption is still quite limited and these materials are among the very few for which these experiments were performed.…”

“…Indeed, experimental measurements of mixed-gas sorption [24,25,26,48] allowed to understand that the competition between CO 2 and CH 4 plays a strong role in the multicomponent sorption behavior. Furthermore, the data indicate that the pure-gas solubility does not provide a good estimate of the real behavior of the mixture.…”

“…Additionally, for a set of glassy polymers comprising poly(2,6-dimethyl-1,4-phenylene oxide) (PPO), PTMSP, PIM-1 and Matrimid ® , it was shown that departure functions, expressing the deviations between the multicomponent properties and the corresponding ideal values, estimated with pure component properties, obey generalized trends which resemble those observed in liquid solutions [82]. The ability of the Dual Mode Sorption model to represent these physical phenomena, as well as its quantitative accuracy in the prediction of solubility and solubility-selectivity were assessed, by comparing the results of the calculation with experimental data available for the materials considered [24,25,26,48], whose repeating units are shown in Figure 1. Moreover, a sensitivity analysis was carried out, in order to verify the robustness of the calculation and the reliability of the prediction in absence of experimental data for validation.…”

Elucidation on the Effect of Operating Temperature to the Transport Properties of Polymeric Membrane Using Molecular Simulation Tool

“…Merkel et al studied the solubility and permeability of light gases, 2 hydrocarbons, and fluorocarbons in a glassy random copolymer of polytetrafluoroethylene and poly (2, 2-bis (trifluoromethyl)-4, 5-difluoro-1, 3-dioxole) (AF2400®) from 25 to 45°C [10]. Gameda et al elucidated the mixed gas sorption of CO 2 /CH 4 in polymer of intrinsic microporosity (PIM-1) in between 25 and 50°C [11]. Stevens et al reported the decrement in gas solubilities with increment in temperature at varying thermally rearranged (TR) polymeric membranes [12].…”