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Impact of Adsorption on Gas Transport in Nanopores

Given the complex nature of the interaction between gas and solid atoms, the development of nanoscale science and technology has engendered a need for further understanding of gas transport behavior through nanopores and more tractable models for large-scale simulations. In the present paper, we uti...

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Detalles Bibliográficos
Autores principales: Wu, Tianhao, Zhang, Dongxiao
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4810319/
https://www.ncbi.nlm.nih.gov/pubmed/27020130
http://dx.doi.org/10.1038/srep23629
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author Wu, Tianhao
Zhang, Dongxiao
author_facet Wu, Tianhao
Zhang, Dongxiao
author_sort Wu, Tianhao
collection PubMed
description Given the complex nature of the interaction between gas and solid atoms, the development of nanoscale science and technology has engendered a need for further understanding of gas transport behavior through nanopores and more tractable models for large-scale simulations. In the present paper, we utilize molecular dynamic simulations to demonstrate the behavior of gas flow under the influence of adsorption in nano-channels consisting of illite and graphene, respectively. The results indicate that velocity oscillation exists along the cross-section of the nano-channel, and the total mass flow could be either enhanced or reduced depending on variations in adsorption under different conditions. The mechanisms can be explained by the extra average perturbation stress arising from density oscillation via the novel perturbation model for micro-scale simulation, and approximated via the novel dual-region model for macro-scale simulation, which leads to a more accurate permeability correction model for industrial applications than is currently available.
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spelling pubmed-48103192016-03-29 Impact of Adsorption on Gas Transport in Nanopores Wu, Tianhao Zhang, Dongxiao Sci Rep Article Given the complex nature of the interaction between gas and solid atoms, the development of nanoscale science and technology has engendered a need for further understanding of gas transport behavior through nanopores and more tractable models for large-scale simulations. In the present paper, we utilize molecular dynamic simulations to demonstrate the behavior of gas flow under the influence of adsorption in nano-channels consisting of illite and graphene, respectively. The results indicate that velocity oscillation exists along the cross-section of the nano-channel, and the total mass flow could be either enhanced or reduced depending on variations in adsorption under different conditions. The mechanisms can be explained by the extra average perturbation stress arising from density oscillation via the novel perturbation model for micro-scale simulation, and approximated via the novel dual-region model for macro-scale simulation, which leads to a more accurate permeability correction model for industrial applications than is currently available. Nature Publishing Group 2016-03-29 /pmc/articles/PMC4810319/ /pubmed/27020130 http://dx.doi.org/10.1038/srep23629 Text en Copyright © 2016, Macmillan Publishers Limited http://creativecommons.org/licenses/by/4.0/ This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/
spellingShingle Article
Wu, Tianhao
Zhang, Dongxiao
Impact of Adsorption on Gas Transport in Nanopores
title Impact of Adsorption on Gas Transport in Nanopores
title_full Impact of Adsorption on Gas Transport in Nanopores
title_fullStr Impact of Adsorption on Gas Transport in Nanopores
title_full_unstemmed Impact of Adsorption on Gas Transport in Nanopores
title_short Impact of Adsorption on Gas Transport in Nanopores
title_sort impact of adsorption on gas transport in nanopores
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4810319/
https://www.ncbi.nlm.nih.gov/pubmed/27020130
http://dx.doi.org/10.1038/srep23629
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