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Evidence of Facilitated Transport in Crowded Nanopores

[Image: see text] Fluid transport in nature often occurs through crowded nanopores, where a number of phenomena can affect it, because of fluid–fluid and fluid–solid interactions, as well as the presence of organic compounds filling the pores and their structural fluctuations. Employing molecular dy...

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Autores principales: Phan, Anh, Striolo, Alberto
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7145346/
https://www.ncbi.nlm.nih.gov/pubmed/31976670
http://dx.doi.org/10.1021/acs.jpclett.9b03751
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author Phan, Anh
Striolo, Alberto
author_facet Phan, Anh
Striolo, Alberto
author_sort Phan, Anh
collection PubMed
description [Image: see text] Fluid transport in nature often occurs through crowded nanopores, where a number of phenomena can affect it, because of fluid–fluid and fluid–solid interactions, as well as the presence of organic compounds filling the pores and their structural fluctuations. Employing molecular dynamics, we probe here the transport of fluid mixtures (CO(2)–CH(4) and H(2)S–CH(4)) through silica nanopores filled with benzene. Both CO(2) and H(2)S are strongly adsorbed within the organic-filled pore, partially displacing benzene. Unexpectedly, CO(2)/H(2)S adsorption facilitates CH(4) transport. Analysis of the trajectories suggests that both CO(2) and H(2)S act as vehicle-like carriers and might swell benzene, generating preferential transport pathways within the crowded pore. The results are useful for identifying unexpected transport mechanisms and for developing engineering approaches that could lead to storage of CO(2) in caprocks.
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spelling pubmed-71453462020-04-10 Evidence of Facilitated Transport in Crowded Nanopores Phan, Anh Striolo, Alberto J Phys Chem Lett [Image: see text] Fluid transport in nature often occurs through crowded nanopores, where a number of phenomena can affect it, because of fluid–fluid and fluid–solid interactions, as well as the presence of organic compounds filling the pores and their structural fluctuations. Employing molecular dynamics, we probe here the transport of fluid mixtures (CO(2)–CH(4) and H(2)S–CH(4)) through silica nanopores filled with benzene. Both CO(2) and H(2)S are strongly adsorbed within the organic-filled pore, partially displacing benzene. Unexpectedly, CO(2)/H(2)S adsorption facilitates CH(4) transport. Analysis of the trajectories suggests that both CO(2) and H(2)S act as vehicle-like carriers and might swell benzene, generating preferential transport pathways within the crowded pore. The results are useful for identifying unexpected transport mechanisms and for developing engineering approaches that could lead to storage of CO(2) in caprocks. American Chemical Society 2020-01-24 2020-03-05 /pmc/articles/PMC7145346/ /pubmed/31976670 http://dx.doi.org/10.1021/acs.jpclett.9b03751 Text en Copyright © 2020 American Chemical Society This is an open access article published under a Creative Commons Attribution (CC-BY) License (http://pubs.acs.org/page/policy/authorchoice_ccby_termsofuse.html) , which permits unrestricted use, distribution and reproduction in any medium, provided the author and source are cited.
spellingShingle Phan, Anh
Striolo, Alberto
Evidence of Facilitated Transport in Crowded Nanopores
title Evidence of Facilitated Transport in Crowded Nanopores
title_full Evidence of Facilitated Transport in Crowded Nanopores
title_fullStr Evidence of Facilitated Transport in Crowded Nanopores
title_full_unstemmed Evidence of Facilitated Transport in Crowded Nanopores
title_short Evidence of Facilitated Transport in Crowded Nanopores
title_sort evidence of facilitated transport in crowded nanopores
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7145346/
https://www.ncbi.nlm.nih.gov/pubmed/31976670
http://dx.doi.org/10.1021/acs.jpclett.9b03751
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