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Zirconium-Based Metal Organic Frameworks for the Capture of Carbon Dioxide and Ethanol Vapour. A Comparative Study
This paper reports on the comparison of three zirconium-based metal organic frameworks (MOFs) for the capture of carbon dioxide and ethanol vapour at ambient conditions. In terms of efficiency, two parameters were evaluated by experimental and modeling means, namely the nature of the ligands and the...
Autores principales: | , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8703343/ https://www.ncbi.nlm.nih.gov/pubmed/34946698 http://dx.doi.org/10.3390/molecules26247620 |
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author | Saidi, Meryem Ho, Phuoc Hoang Yadav, Pankaj Salles, Fabrice Charnay, Clarence Girard, Luc Boukli-Hacene, Leila Trens, Philippe |
author_facet | Saidi, Meryem Ho, Phuoc Hoang Yadav, Pankaj Salles, Fabrice Charnay, Clarence Girard, Luc Boukli-Hacene, Leila Trens, Philippe |
author_sort | Saidi, Meryem |
collection | PubMed |
description | This paper reports on the comparison of three zirconium-based metal organic frameworks (MOFs) for the capture of carbon dioxide and ethanol vapour at ambient conditions. In terms of efficiency, two parameters were evaluated by experimental and modeling means, namely the nature of the ligands and the size of the cavities. We demonstrated that amongst three Zr-based MOFs, MIP-202 has the highest affinity for CO(2) (−50 kJ·mol(−1) at low coverage against around −20 kJ·mol(−1) for MOF-801 and Muc Zr MOF), which could be related to the presence of amino functions borne by its aspartic acid ligands as well as the presence of extra-framework anions. On the other side, regardless of the ligand size, these three materials were able to adsorb similar amounts of carbon dioxide at 1 atm (between 2 and 2.5 µmol·m(−2) at 298 K). These experimental findings were consistent with modeling studies, despite chemisorption effects, which could not be taken into consideration by classical Monte Carlo simulations. Ethanol adsorption confirmed these results, higher enthalpies being found at low coverage for the three materials because of stronger van der Waals interactions. Two distinct sorption processes were proposed in the case of MIP-202 to explain the shape of the enthalpic profiles. |
format | Online Article Text |
id | pubmed-8703343 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-87033432021-12-25 Zirconium-Based Metal Organic Frameworks for the Capture of Carbon Dioxide and Ethanol Vapour. A Comparative Study Saidi, Meryem Ho, Phuoc Hoang Yadav, Pankaj Salles, Fabrice Charnay, Clarence Girard, Luc Boukli-Hacene, Leila Trens, Philippe Molecules Article This paper reports on the comparison of three zirconium-based metal organic frameworks (MOFs) for the capture of carbon dioxide and ethanol vapour at ambient conditions. In terms of efficiency, two parameters were evaluated by experimental and modeling means, namely the nature of the ligands and the size of the cavities. We demonstrated that amongst three Zr-based MOFs, MIP-202 has the highest affinity for CO(2) (−50 kJ·mol(−1) at low coverage against around −20 kJ·mol(−1) for MOF-801 and Muc Zr MOF), which could be related to the presence of amino functions borne by its aspartic acid ligands as well as the presence of extra-framework anions. On the other side, regardless of the ligand size, these three materials were able to adsorb similar amounts of carbon dioxide at 1 atm (between 2 and 2.5 µmol·m(−2) at 298 K). These experimental findings were consistent with modeling studies, despite chemisorption effects, which could not be taken into consideration by classical Monte Carlo simulations. Ethanol adsorption confirmed these results, higher enthalpies being found at low coverage for the three materials because of stronger van der Waals interactions. Two distinct sorption processes were proposed in the case of MIP-202 to explain the shape of the enthalpic profiles. MDPI 2021-12-15 /pmc/articles/PMC8703343/ /pubmed/34946698 http://dx.doi.org/10.3390/molecules26247620 Text en © 2021 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Saidi, Meryem Ho, Phuoc Hoang Yadav, Pankaj Salles, Fabrice Charnay, Clarence Girard, Luc Boukli-Hacene, Leila Trens, Philippe Zirconium-Based Metal Organic Frameworks for the Capture of Carbon Dioxide and Ethanol Vapour. A Comparative Study |
title | Zirconium-Based Metal Organic Frameworks for the Capture of Carbon Dioxide and Ethanol Vapour. A Comparative Study |
title_full | Zirconium-Based Metal Organic Frameworks for the Capture of Carbon Dioxide and Ethanol Vapour. A Comparative Study |
title_fullStr | Zirconium-Based Metal Organic Frameworks for the Capture of Carbon Dioxide and Ethanol Vapour. A Comparative Study |
title_full_unstemmed | Zirconium-Based Metal Organic Frameworks for the Capture of Carbon Dioxide and Ethanol Vapour. A Comparative Study |
title_short | Zirconium-Based Metal Organic Frameworks for the Capture of Carbon Dioxide and Ethanol Vapour. A Comparative Study |
title_sort | zirconium-based metal organic frameworks for the capture of carbon dioxide and ethanol vapour. a comparative study |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8703343/ https://www.ncbi.nlm.nih.gov/pubmed/34946698 http://dx.doi.org/10.3390/molecules26247620 |
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