Computational and Experimental Approach to the Role of Structure-Directing Agents in the Synthesis of Zeolites: The Case of Cyclohexyl Alkyl Pyrrolidinium Salts in the Synthesis of β, EU-1, ZSM-11, and ZSM-12 Zeolites
Abstract
The role of structure-directing agents (SDA) in the synthesis of zeolites is investigated, and the structures obtained in the synthesis are rationalized in terms of the energetic stabilization between the SDA and the microporous zeolite structure. An explanation is provided for the synthesis outcome in terms of a balance between kinetic and thermodynamic factors throughout the nucleation and crystallization stages. The stability of β, EU-1, ZSM-11, and ZSM-12 zeolites is calculated over a wide range of Si/Al ratios when cyclohexyl alkyl pyrrolidinium salts are used as the SDA. The role of the SDA allows us to explain the final stability and the Si/Al range in which each structure can be synthesized. The stabilization of intermediate species during the nucleation is proposed to orient the final result of the synthesis. A simple kinetic model is proposed to explain the synthesis process.
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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 [100]
Cites
Thermochemistry of Pure-Silica Zeolites
Piccione, P. M., Laberty, C., Yang, S., Camblor, M. A., Navrotsky, A., & Davis, M. E. (2000) · The Journal of Physical Chemistry B · doi:10.1021/jp002148a · Cited by 214 · see citing works
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Zeolites in Adsorption Processes: State of the Art and Future Prospects
Pérez-Botella, E., Valencia, S., & Rey, F. (2022) · Chemical Reviews · doi:10.1021/acs.chemrev.2c00140 · Cited by 1,126 · see citing works
Self-citation
- Authors
- Sastre, G., Leiva, S., Sabater, M. J., Gimenez, I., Rey, F., Valencia, S., & Corma, A.
- Affiliations
- Instituto de Tecnologia Quimica U.P.V.-C.S.I.C., Universidad Politecnica de Valencia, Avenida Los Naranjos s/n, 46022 Valencia, Spain
- Instituto de Tecnología Química (ES)
- Venue
- The Journal of Physical Chemistry B
- Publisher
- American Chemical Society (ACS)
- Published
- 2003-05-13
- Volume
- 107
- Issue
- 23
- Pages
- 5432-5440
- ISSN
- 1520-5207 (ISSN-L)
- 1520-6106
- OpenAlex
- W2080591251
- Cited by
- 85
- References
- 1
- Citations by year
- 2026: 1 · 2025: 3 · 2024: 2 · 2023: 3 · 2022: 4 · 2021: 7 · 2020: 3 · 2019: 1 · 2018: 4 · 2017: 2 · 2016: 4 · 2015: 1 · 2014: 2 · 2013: 3 · 2012: 2
- FWCI
- 5.07
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- The Journal of Physical Chemistry B (publishedVersion)
- Topics
- Physical Sciences › Chemistry › Inorganic Chemistry › Zeolite Catalysis and Synthesis
- Physical Sciences › Environmental Science › Waste Management and Disposal › Chemical Synthesis and Characterization
- Physical Sciences › Chemistry › Inorganic Chemistry › Metal-Organic Frameworks: Synthesis and Applications
- Keywords
- structure-directing agent, zeolite synthesis, beta zeolite, ZSM-11 zeolite, ZSM-12 zeolite, Si/Al ratio, zeolite stability, nucleation, crystallization kinetics, kinetic model
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