“Ab initio” synthesis of zeolites for preestablished catalytic reactions
Open accessAbstract
Start with the transition state: Zeolites catalyze a wide range of industrial reactions, but identifying the reactions that they catalyze well tends to be done by trial and error. Gallego et al.propose a way to rationalize the process by using structure-directing agents that act as scaffolds for creating the zeolite pores and channels (see the Perspective by Millini). They picked molecules that mimic the transition states for reactions such as the isomerization of ethylbenzene into xylene, and they successfully identified catalysts with improved reactant conversion and product selectivity. Science, this issue p.1051; see also p.1028
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The rational design of OSDAs in the search for particular zeolites has given good results in some cases.
“However, the rational design of OSDAs in the search for particular zeolites has given good results in some cases.57,97−100”
From Zeolites in Adsorption Processes: State of the Art and Future Prospects (2022) · cites this paper as [99]
Recent advances in data mining and artificial intelligence have allowed computational prediction to some extent of which OSDAs may lead to the crystallization of targeted zeolite structures.
“In this sense, recent advances in data mining and artificial intelligence have allowed us to computationally predict to some extent which OSDAs may lead to the crystallization of targeted zeolite structures.97,99,101”
From Zeolites in Adsorption Processes: State of the Art and Future Prospects (2022) · cites this paper as [99]
Al distribution in the zeolite framework can be controlled by modifying the synthesis conditions.
“It has been found that selectivity in many acid-catalyzed reactions by Al-containing zeolites strongly depends on the Al distribution in the zeolite framework, which can be controlled by modifying the synthesis conditions.”
From Zeolites in Adsorption Processes: State of the Art and Future Prospects (2022) · cites this paper as [99]
The reduction of average crystal size of a zeolite is mostly done directly by hydrothermal synthesis promoting nucleation versus crystal growth.
“The reduction of average crystal size of a zeolite is mostly done directly by hydrothermal synthesis promoting nucleation versus crystal growth,99,134−138 although other nonconventional methods have been applied as well.139”
From Zeolites in Adsorption Processes: State of the Art and Future Prospects (2022) · cites this paper as [99]
Selectivity in many acid-catalyzed reactions by Al-containing zeolites strongly depends on the Al distribution in the zeolite framework.
“It has been found that selectivity in many acid-catalyzed reactions by Al-containing zeolites strongly depends on the Al distribution in the zeolite framework, which can be controlled by modifying the synthesis conditions.”
From Zeolites in Adsorption Processes: State of the Art and Future Prospects (2022) · cites this paper as [99]
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- Authors
- Gallego, E. M., Portilla, M. T., Paris, C., León-Escamilla, A., Boronat, M., Moliner, M., & Corma, A.
- Affiliations
- Consejo Superior de Investigaciones Científicas (ES)
- Corresponding author
- Gallego, Eva María
- Portilla, M. Teresa
- Corma, Avelino
- ORCID
- Venue
- Science
- Published
- 2017-03-10
- Volume
- 355
- Issue
- 6329
- Pages
- 1051-1054
- ISSN
- 0036-8075 (ISSN-L)
- 1095-9203
- OpenAlex
- W2604711833
- Cited by
- 253
- References
- 53
- Citations by year
- 2026: 12 · 2025: 15 · 2024: 15 · 2023: 28 · 2022: 28 · 2021: 33 · 2020: 47 · 2019: 31 · 2018: 24 · 2017: 20
- FWCI
- 12.78
- Type
- journal article
- Language
- en
- Open access
- green
- hdl.handle.net
- Locations
- Science (publishedVersion)
- PubMed (publishedVersion)
- DIGITAL.CSIC (Spanish National Research Council (CSIC)) (submittedVersion)
- RiuNet (Universitat Politècnica de València) (submittedVersion, cc-by-nc-nd)
- Funders
- European Research Council (award291295)
- Topics
- Physical Sciences › Chemistry › Inorganic Chemistry › Zeolite Catalysis and Synthesis
- Physical Sciences › Chemistry › Inorganic Chemistry › Metal-Organic Frameworks: Synthesis and Applications
- Physical Sciences › Environmental Science › Waste Management and Disposal › Chemical Synthesis and Characterization
- Keywords
- zeolite synthesis, structure-directing agent, transition state mimics, xylene production, catalyst design, product selectivity
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