Synthesis and modelling of functionalized UiO-66 metal organic frameworks for gas adsorption
In this article, we present our experimental and computational findings on the adsorption of ethylene gas within variations of UiO66 metal-organic frameworks (MOFs). UiO-66 MOF was functionalized with 2-vinylbenzoic acid (2VBA), 3-vinylbenzoic acid (3VBA), and 4-vinylbenzoic acid (4VBA) and characte...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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Persatuan Sains Analisis Malaysia (ANALIS)
2024
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| Online Access: | http://psasir.upm.edu.my/id/eprint/117784/ http://psasir.upm.edu.my/id/eprint/117784/1/117784.pdf |
| _version_ | 1848867340450529280 |
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| author | Mohammad Latif, Muhammad Alif Tuan Kob @ Yaakub, Tuan Nurul Azura Abdul Rahman, Mohd Basyaruddin Gandara, Felipe |
| author_facet | Mohammad Latif, Muhammad Alif Tuan Kob @ Yaakub, Tuan Nurul Azura Abdul Rahman, Mohd Basyaruddin Gandara, Felipe |
| author_sort | Mohammad Latif, Muhammad Alif |
| building | UPM Institutional Repository |
| collection | Online Access |
| description | In this article, we present our experimental and computational findings on the adsorption of ethylene gas within variations of UiO66 metal-organic frameworks (MOFs). UiO-66 MOF was functionalized with 2-vinylbenzoic acid (2VBA), 3-vinylbenzoic acid (3VBA), and 4-vinylbenzoic acid (4VBA) and characterized using powder X-ray diffraction techniques, FT-IR analysis and 1H NMR. Based on structural analysis, the functionalized UiO-66 MOFs were found to possess the same structural stability as the 3D porous crystalline lattices of UiO-66, with hexanuclear zirconium oxyhydroxide clusters (Zr6O4(OH)4(RCO2)12. Grand Canonical Monte Carlo simulation showed that the average loading of ethylene gas in UiO-66 and functionalized UiO-66 were relatively close. The adsorption was further investigated using radial distribution function analysis and it was found that the most favorable interactions were between the adsorbate and the carbon atom of the MOFs. These interactions were crucial for ethylene stabilization inside UiO-66 pore channels. The results presented here supported the viability of ethylene adsorption in UiO-66's modified terephthalate linker by demonstrating that functionalized UiO-66 not only retain structural integrity, but also have comparable ethylene adsorption at different pressures with stronger interactions with ethylene gas. |
| first_indexed | 2025-11-15T14:34:56Z |
| format | Article |
| id | upm-117784 |
| institution | Universiti Putra Malaysia |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-15T14:34:56Z |
| publishDate | 2024 |
| publisher | Persatuan Sains Analisis Malaysia (ANALIS) |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | upm-1177842025-06-12T02:07:18Z http://psasir.upm.edu.my/id/eprint/117784/ Synthesis and modelling of functionalized UiO-66 metal organic frameworks for gas adsorption Mohammad Latif, Muhammad Alif Tuan Kob @ Yaakub, Tuan Nurul Azura Abdul Rahman, Mohd Basyaruddin Gandara, Felipe In this article, we present our experimental and computational findings on the adsorption of ethylene gas within variations of UiO66 metal-organic frameworks (MOFs). UiO-66 MOF was functionalized with 2-vinylbenzoic acid (2VBA), 3-vinylbenzoic acid (3VBA), and 4-vinylbenzoic acid (4VBA) and characterized using powder X-ray diffraction techniques, FT-IR analysis and 1H NMR. Based on structural analysis, the functionalized UiO-66 MOFs were found to possess the same structural stability as the 3D porous crystalline lattices of UiO-66, with hexanuclear zirconium oxyhydroxide clusters (Zr6O4(OH)4(RCO2)12. Grand Canonical Monte Carlo simulation showed that the average loading of ethylene gas in UiO-66 and functionalized UiO-66 were relatively close. The adsorption was further investigated using radial distribution function analysis and it was found that the most favorable interactions were between the adsorbate and the carbon atom of the MOFs. These interactions were crucial for ethylene stabilization inside UiO-66 pore channels. The results presented here supported the viability of ethylene adsorption in UiO-66's modified terephthalate linker by demonstrating that functionalized UiO-66 not only retain structural integrity, but also have comparable ethylene adsorption at different pressures with stronger interactions with ethylene gas. Persatuan Sains Analisis Malaysia (ANALIS) 2024-06-29 Article PeerReviewed text en cc_by_nc_4 http://psasir.upm.edu.my/id/eprint/117784/1/117784.pdf Mohammad Latif, Muhammad Alif and Tuan Kob @ Yaakub, Tuan Nurul Azura and Abdul Rahman, Mohd Basyaruddin and Gandara, Felipe (2024) Synthesis and modelling of functionalized UiO-66 metal organic frameworks for gas adsorption. Malaysian Journal of Analytical Sciences, 28 (3). pp. 489-499. ISSN 1394-2506 https://mjas.analis.com.my/mjas/v28_n3/pdf/Yaakub_28_3_2.pdf |
| spellingShingle | Mohammad Latif, Muhammad Alif Tuan Kob @ Yaakub, Tuan Nurul Azura Abdul Rahman, Mohd Basyaruddin Gandara, Felipe Synthesis and modelling of functionalized UiO-66 metal organic frameworks for gas adsorption |
| title | Synthesis and modelling of functionalized UiO-66 metal organic frameworks for gas adsorption |
| title_full | Synthesis and modelling of functionalized UiO-66 metal organic frameworks for gas adsorption |
| title_fullStr | Synthesis and modelling of functionalized UiO-66 metal organic frameworks for gas adsorption |
| title_full_unstemmed | Synthesis and modelling of functionalized UiO-66 metal organic frameworks for gas adsorption |
| title_short | Synthesis and modelling of functionalized UiO-66 metal organic frameworks for gas adsorption |
| title_sort | synthesis and modelling of functionalized uio-66 metal organic frameworks for gas adsorption |
| url | http://psasir.upm.edu.my/id/eprint/117784/ http://psasir.upm.edu.my/id/eprint/117784/ http://psasir.upm.edu.my/id/eprint/117784/1/117784.pdf |