Permeation of CO2 and N 2 through glassy poly(dimethyl phenylene) oxide under steady- and presteady-state conditions

Soniat, Marielle; Tesfaye, Meron; Mafi, Amirhossein; Brooks, Daniel J.; Humphrey, Nicholas D.; Weng, Lien‐Chun; Merinov, Boris; Goddard, William A.; Weber, Adam Z.; Houle, Frances A.

doi:10.1002/pol.20200053

Permeation of CO₂ and N ₂ through glassy poly(dimethyl phenylene) oxide under steady- and presteady-state conditions

Journal Article · Fri Feb 28 00:00:00 EST 2020 · Journal of Polymer Science

DOI:https://doi.org/10.1002/pol.20200053· OSTI ID:1605273

^[1]; ^[2]; ^[3]; Brooks, Daniel J. ^[3]; ^[3]; Weng, Lien‐Chun ^[2]; ^[3]; ^[3]; ^[1]; ^[1]

Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States)
California Institute of Technology (CalTech), Pasadena, CA (United States). Beckman Inst.

Glassy polymers are often used for gas separations because of their high selectivity. Although the dual-mode permeation model correctly fits their sorption and permeation isotherms, its physical interpretation is disputed, and it does not describe permeation far from steady state, a condition expected when separations involve intermittent renewable energy sources. To develop a more comprehensive permeation model, we combine experiment, molecular dynamics, and multiscale reaction–diffusion modeling to characterize the time-dependent permeation of N₂ and CO₂ through a glassy poly(dimethyl phenylene oxide) membrane, a model system. Simulations of experimental time-dependent permeation data for both gases in the presteady-state and steady-state regimes show that both single- and dual-mode reaction–diffusion models reproduce the experimental observations, and that sorbed gas concentrations lag the external pressure rise. The results point to environment-sensitive diffusion coefficients as a vital characteristic of transport in glassy polymers.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC02-05CH11231; SC0004993

OSTI ID:: 1605273

Alternate ID(s):: OSTI ID: 1602092

Journal Information:: Journal of Polymer Science, Journal Name: Journal of Polymer Science Journal Issue: 9 Vol. 58; ISSN 2642-4150

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

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Permeation of CO2 and N 2 through glassy poly(dimethyl phenylene) oxide under steady- and presteady-state conditions

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Permeation of CO₂ and N ₂ through glassy poly(dimethyl phenylene) oxide under steady- and presteady-state conditions