Transport of binary gases in nanoporous media with non-equilibrium adsorption

Surface diffusion and adsorption in nanoporous media are fundamental to mass transport and storage processes. The nanoporous media with high sorption affinity and slow mass exchange can exhibit non-equilibrium adsorption behavior. Accordingly, this study introduces a species-based model incorporatin...

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Main Authors: Kawthar A. Babatunde, Hamid Emami-Meybodi
Format: Article
Language:English
Published: Elsevier 2025-08-01
Series:Applied Surface Science Advances
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2666523925001163
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author Kawthar A. Babatunde
Hamid Emami-Meybodi
author_facet Kawthar A. Babatunde
Hamid Emami-Meybodi
author_sort Kawthar A. Babatunde
collection DOAJ
description Surface diffusion and adsorption in nanoporous media are fundamental to mass transport and storage processes. The nanoporous media with high sorption affinity and slow mass exchange can exhibit non-equilibrium adsorption behavior. Accordingly, this study introduces a species-based model incorporating non-equilibrium adsorption kinetics for binary gas transport within nanoporous media. The proposed model for the predictive transport of gases incorporates non-equilibrium adsorption, surface diffusion, and bulk, viscous, and Knudsen diffusion. The extended Langmuir rate equation covers non-equilibrium adsorption, while the generalized Maxwell-Stefan equation addresses surface diffusion. The model is validated against two different experiments and then applied to simulate CO2 transport within methane-saturated nanoporous media, including organic-rich shales and coalbed methane. The simulation results reveal that the sorbed phase can occupy almost half of the pore volume. The comparison results between equilibrium and non-equilibrium adsorption models reveal that ignoring non-equilibrium sorption kinetics can lead to underestimating total mass flux and overestimating the sorbed-phase contribution of the mass flux. Using equilibrium adsorption can result in an underestimation of molar flux by 8%. The results of the molar flux ratio show that the sorbed phase adds three times more flux to the total flux when using the equilibrium adsorption model compared with the non-equilibrium adsorption model. This work demonstrates the impact of non-equilibrium adsorption on binary gas transport. The developed model gives a thorough framework for investigating gas transport and the sorbed phase’s contribution to the total mass transport.
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spelling doaj-art-21580cc2d22841b7b2e9f5809ceb77102025-08-20T03:05:30ZengElsevierApplied Surface Science Advances2666-52392025-08-012810080810.1016/j.apsadv.2025.100808Transport of binary gases in nanoporous media with non-equilibrium adsorptionKawthar A. Babatunde0Hamid Emami-Meybodi1The Pennsylvania State University, University Park, PA, USACorresponding author.; The Pennsylvania State University, University Park, PA, USASurface diffusion and adsorption in nanoporous media are fundamental to mass transport and storage processes. The nanoporous media with high sorption affinity and slow mass exchange can exhibit non-equilibrium adsorption behavior. Accordingly, this study introduces a species-based model incorporating non-equilibrium adsorption kinetics for binary gas transport within nanoporous media. The proposed model for the predictive transport of gases incorporates non-equilibrium adsorption, surface diffusion, and bulk, viscous, and Knudsen diffusion. The extended Langmuir rate equation covers non-equilibrium adsorption, while the generalized Maxwell-Stefan equation addresses surface diffusion. The model is validated against two different experiments and then applied to simulate CO2 transport within methane-saturated nanoporous media, including organic-rich shales and coalbed methane. The simulation results reveal that the sorbed phase can occupy almost half of the pore volume. The comparison results between equilibrium and non-equilibrium adsorption models reveal that ignoring non-equilibrium sorption kinetics can lead to underestimating total mass flux and overestimating the sorbed-phase contribution of the mass flux. Using equilibrium adsorption can result in an underestimation of molar flux by 8%. The results of the molar flux ratio show that the sorbed phase adds three times more flux to the total flux when using the equilibrium adsorption model compared with the non-equilibrium adsorption model. This work demonstrates the impact of non-equilibrium adsorption on binary gas transport. The developed model gives a thorough framework for investigating gas transport and the sorbed phase’s contribution to the total mass transport.http://www.sciencedirect.com/science/article/pii/S2666523925001163Mass transportMulticomponent gasNon-equilibrium adsorptionNanoporous mediaCO2 injection
spellingShingle Kawthar A. Babatunde
Hamid Emami-Meybodi
Transport of binary gases in nanoporous media with non-equilibrium adsorption
Applied Surface Science Advances
Mass transport
Multicomponent gas
Non-equilibrium adsorption
Nanoporous media
CO2 injection
title Transport of binary gases in nanoporous media with non-equilibrium adsorption
title_full Transport of binary gases in nanoporous media with non-equilibrium adsorption
title_fullStr Transport of binary gases in nanoporous media with non-equilibrium adsorption
title_full_unstemmed Transport of binary gases in nanoporous media with non-equilibrium adsorption
title_short Transport of binary gases in nanoporous media with non-equilibrium adsorption
title_sort transport of binary gases in nanoporous media with non equilibrium adsorption
topic Mass transport
Multicomponent gas
Non-equilibrium adsorption
Nanoporous media
CO2 injection
url http://www.sciencedirect.com/science/article/pii/S2666523925001163
work_keys_str_mv AT kawtharababatunde transportofbinarygasesinnanoporousmediawithnonequilibriumadsorption
AT hamidemamimeybodi transportofbinarygasesinnanoporousmediawithnonequilibriumadsorption