Dense fluid transport through nanoporous graphene membranes in the limit of steric exclusion
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ZHOU_nanopore_PRF_resub.pdf
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Author(s)
Zhou, Runfeng
Swisher, Mathew M.
Deshmukh, Akshay
Sun, Chengzhen
Lienhard, John H
Hadjiconstantinou, Nicolas G.
Date Issued
April 9, 2024
Journal
Physical Review Fluids
Publisher
American Physical Society
Citation
Zhou, Runfeng, Swisher, Mathew M., Deshmukh, Akshay, Sun, Chengzhen, Lienhard, John H. et al. 2024. "Dense fluid transport through nanoporous graphene membranes in the limit of steric exclusion." Physical Review Fluids, 9 (4).
Version
Author's final manuscript
Abstract
We investigate transport of dense fluid flow through nanoporous membranes in the limit of steric exclusion using molecular dynamics (MD) and finite element simulations. Simulation results suggest that, for simple fluids, deviations from Sampson flow are a consequence of the competition between slip and finite atomic size effects. The latter manifest themselves by introducing an effective pore size, as well as an effective membrane thickness. We propose an analytical model for the membrane permeance that accounts for all these factors. We also show how this model can be modified to describe transport of low molecular weight aromatic hydrocarbons across these membranes in the steric limit. Extensive validation of this model is conducted through MD simulations of Lennard-Jones fluids permeating single- and multilayer graphene membranes, as well as low molecular weight organic liquids permeating single-layer graphene membranes.
MIT Department
Massachusetts Institute of Technology. Department of Mechanical Engineering
Massachusetts Institute of Technology. Center for Computational Science and Engineering
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Creative Commons Attribution-Noncommercial-ShareAlike
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DOI of Published Version
https://doi.org/10.1103/physrevfluids.9.044202
