Bera, G.; Botella, P.; Pellicer-Porres, J.; Diaz-Anichtchenko, D.; Errandonea, D.; Gomis, O.; Oliva, R.... (2024). Structural stability and adsorption behaviour of CO2-loaded pure silica CHA and ITW zeolites upon compression. Microporous and Mesoporous Materials. 380. https://doi.org/10.1016/j.micromeso.2024.113317
Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10251/210586
Título:
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Structural stability and adsorption behaviour of CO2-loaded pure silica CHA and ITW zeolites upon compression
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Autor:
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Bera, G.
Botella, P.
Pellicer-Porres, J.
Diaz-Anichtchenko, Daniel
Errandonea, Daniel
Gomis, O.
Oliva, R.
IBANEZ, J.
Alabarse, Frederico
Valencia Valencia, Susana
Rey, F.
Otero-de-la-Roza, Alberto
Santamaria-Perez, David
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Entidad UPV:
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Universitat Politècnica de València. Instituto Universitario Mixto de Tecnología Química - Institut Universitari Mixt de Tecnologia Química
Universitat Politècnica de València. Escuela Politécnica Superior de Alcoy - Escola Politècnica Superior d'Alcoi
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Fecha difusión:
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Resumen:
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[EN] The present study investigates the structural stability and adsorption behavior of ultrahigh CO2-loaded puresilica zeolites chabazite (CHA) and ITQ-12 (ITW) under high pressure conditions. To analyze these properties, ...[+]
[EN] The present study investigates the structural stability and adsorption behavior of ultrahigh CO2-loaded puresilica zeolites chabazite (CHA) and ITQ-12 (ITW) under high pressure conditions. To analyze these properties, we have utilized in situ synchrotron-based X-ray powder diffraction techniques. Lattice indexation provides information of the filling process and, through Rietveld refinements and Fourier recycling methods, we have been able to (i) determine the location and amount of guest carbon dioxide molecules within the cavities of pure-SiO2 CHA zeolite and (ii) tentatively determine that within the channels of the porous pure-SiO2 ITW framework. The filling of the zeolite pores with CO2 molecules was found to have a positive impact on the structural stability of both CHA and ITW under compression, which do not undergo pressure-induced amorphization up to 12.2 GPa and 15.9 GPa, respectively. Interestingly, low compressibility takes place in CHA zeolite below 4 GPa during CO2 loading and a second-order phase transition occurs in CO2-filled ITW zeolite at 2.1 GPa. These results highlight the influence of CO2 adsorption on the compressibility behavior of these zeolites. Overall, our study provides detailed insights into the structural behavior of CO2-loaded CHA and ITW under high pressure and allows comparison with other pure silica zeolites described in the literature.
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Palabras clave:
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Zeolites
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CO 2 adsorption
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Structural phase transition
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High pressure
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EoS
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Derechos de uso:
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Reconocimiento - No comercial (by-nc)
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Fuente:
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Microporous and Mesoporous Materials. (issn:
1387-1811
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DOI:
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10.1016/j.micromeso.2024.113317
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Editorial:
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Elsevier
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Versión del editor:
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https://doi.org/10.1016/j.micromeso.2024.113317
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Código del Proyecto:
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info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/PID2021-125518NB-I00/ES/ESTABILIDAD ESTRUCTURAL Y REACTIVIDAD DE FASES DENSAS DE CO2 Y CARBONATOS A ALTA TEMPERATURA Y EN DISTINTOS ENTORNOS QUIMICOS/
...[+]
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/PID2021-125518NB-I00/ES/ESTABILIDAD ESTRUCTURAL Y REACTIVIDAD DE FASES DENSAS DE CO2 Y CARBONATOS A ALTA TEMPERATURA Y EN DISTINTOS ENTORNOS QUIMICOS/
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/PID2022-138076NB-C41/ES/COMPORTAMIENTO DE MATERIALES COMPLEJOS Y METALES EN CONDICIONES EXTREMAS/
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/PID2022-138076NB-C42/ES/ESTUDIO DE SESQUIOXIDOS, SESQUICALCOGENUROS Y COMPUESTOS MULTICENTRO EN CONDICIONES EXTREMAS/
info:eu-repo/grantAgreement/FICYT//AYUD%2F2021%2F51036/
info:eu-repo/grantAgreement/GVA//CIPROM%2F2021%2F075/
info:eu-repo/grantAgreement/GVA//MFA%2F2022%2F007/
info:eu-repo/grantAgreement/GVA//CIAICO%2F2021%2F241/
info:eu-repo/grantAgreement/AEI//RED2022-134388-T/
info:eu-repo/grantAgreement/MICINN//PRTR-C17.I1/
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Agradecimientos:
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This research was funded by the Spanish Research Agency (AEI) and Spanish Ministry of Science and Investigation (MCIN) (MCIN/AEI/10.13039/501100011033) under projects PGC2021-125518NB-I00, PID2022-138076NB-C41/42, and ...[+]
This research was funded by the Spanish Research Agency (AEI) and Spanish Ministry of Science and Investigation (MCIN) (MCIN/AEI/10.13039/501100011033) under projects PGC2021-125518NB-I00, PID2022-138076NB-C41/42, and RED2022-134388-T (cofinanced by EU FEDER funds) as well as by the Generalitat Valenciana under projects CIAICO/2021/241, CIPROM/2021/075 (GREENMAT) , and MFA/2022/007 (funded by the European Union-Next Generation EU) . This study forms part of the Advanced Materials program and is supported by MCIN with funding from European Union Next Generation EU (PRTR-C17.I1) and by the Generalitat Valenciana. A.O.R. thanks the Principality of Asturias (FICYT) , project AYUD/2021/51036 cofinanced by EU FEDER. The authors also thank the MALTA Consolider supercomputing centre and Compute Canada for computational resources and the Elettra Syn-chrotron Radiation facilities for providing beam-time under the proposal 20225011 and 20230054. The authors thankfully acknowledge the computer resources at MareNostrum5 and the technical support provided by BSC (RES-AECT-2024-2-0010) .
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Tipo:
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Artículo
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