Phan, A;
Striolo, A;
(2020)
Evidence of Facilitated Transport in Crowded Nano-Pores.
The Journal of Physical Chemistry Letters
, 11
(5)
pp. 1814-1821.
10.1021/acs.jpclett.9b03751.
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Abstract
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 (CO2−CH4 and H2S−CH4) through silica nanopores filled with benzene. Both CO2 and H2S are strongly adsorbed within the organic-filled pore, partially displacing benzene. Unexpectedly, CO2/H2S adsorption facilitates CH4 transport. Analysis of the trajectories suggests that both CO2 and H2S 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 CO2 in caprocks.
| Type: | Article |
|---|---|
| Title: | Evidence of Facilitated Transport in Crowded Nano-Pores |
| Location: | United States |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1021/acs.jpclett.9b03751 |
| Publisher version: | http://dx.doi.org/10.1021/acs.jpclett.9b03751 |
| Language: | English |
| Additional information: | 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/ |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science > Dept of Chemical Engineering |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10090464 |
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