Collective action of water molecules in zeolite dealumination
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Water molecules cooperate to facilitate Al–O bond hydrolysis during zeolite dealumination at real steaming conditions.
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Proper mechanistic understanding of BAS-water-zeolite interactions is still lacking, limited to either static calculations at ultra-high vacuum conditions or exploratory (ab initio) dynamical simulations of narrow scope.
“As a result, the proper mechanistic understanding of BAS-water-zeolite interactions is still lacking, limited to either static calculations at ultra-high vacuum conditions13,14 or exploratory (ab initio) dynamical simulations of narrow scope15–18.”
From A reactive neural network framework for water-loaded acidic zeolites (2024) · cites this paper as [16]
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Phosphorus modification of FER zeolite with H3PO2 for enhancement of hydrothermal stability
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Phosphorus modification of FER zeolite with H3PO2 for enhancement of hydrothermal stabilityPreprint
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Phosphorus modification of FER zeolite with H3PO2 for enhancement of hydrothermal stabilityPreprint
Ma, Y., Liu, J., Yang, L., Ouyang, Y., Xin, M., Xing, E., Luo, Y., & Shu, X. (2025) · SSRN Electronic Journal · doi:10.2139/ssrn.5703544
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- Authors
- Nielsen, M., Hafreager, A., Brogaard, R. Y., De Wispelaere, K., Falsig, H., Beato, P., Van Speybroeck, V., & Svelle, S.
- Affiliations
- University of Oslo (NO)
- Center for Molecular Modeling (CMM)
- Haldor Topsoe (Denmark) (DK)
- Corresponding author
- Brogaard, Rasmus Yding
- Svelle, Stian
- ORCID
- Venue
- Catalysis Science & Technology
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2019
- Volume
- 9
- Issue
- 14
- Pages
- 3721-3725
- ISSN
- 2044-4753 (ISSN-L)
- 2044-4761
- OpenAlex
- W2952623355
- Cited by
- 76
- References
- 37
- Citations by year
- 2026: 9 · 2025: 12 · 2024: 13 · 2023: 9 · 2022: 7 · 2021: 13 · 2020: 10 · 2019: 3
- FWCI
- 3.09
- Type
- journal article
- Language
- en
- Open access
- hybrid
- doi.org
- Licence
- Locations
- Catalysis Science & Technology (publishedVersion, cc-by-nc)
- Ghent University Academic Bibliography (Ghent University) (submittedVersion, cc-by-nc)
- NORA - Norwegian Open Research Archives (submittedVersion, cc-by-nc)
- Funders
- Seventh Framework Programme (606965)
- Fonds Wetenschappelijk Onderzoek (FWO16-PDO-047)
- European Research Council (647755)
- Topics
- Physical Sciences › Chemistry › Inorganic Chemistry › Zeolite Catalysis and Synthesis
- Physical Sciences › Environmental Science › Waste Management and Disposal › Chemical Synthesis and Characterization
- Physical Sciences › Chemical Engineering › Catalysis › Catalysis and Oxidation Reactions
- Keywords
- water molecules, collective action, steaming, zeolite deactivation
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