Cargando…
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...
Autores principales: | , |
---|---|
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 |
_version_ | 1783519983773417472 |
---|---|
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. |
format | Online Article Text |
id | pubmed-7145346 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | American Chemical
Society |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT phananh evidenceoffacilitatedtransportincrowdednanopores AT strioloalberto evidenceoffacilitatedtransportincrowdednanopores |