Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 24, Issue 16, Pages 9229-9235Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/d1cp05412k
Keywords
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Funding
- French National Research Agency (ANR) [ANR-15-CE07-0013]
- GENCI- [TGCC/CINES/IDRIS] [2020-A0070911009]
- U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-SC0019285]
- U.S. Department of Energy (DOE) [DE-SC0019285] Funding Source: U.S. Department of Energy (DOE)
- Agence Nationale de la Recherche (ANR) [ANR-15-CE07-0013] Funding Source: Agence Nationale de la Recherche (ANR)
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During the precipitation of zeolite nanoparticles, aluminosilicate oligomers and silicate entities grow simultaneously via an aggregation process, leading to the formation of stable amorphous aluminosilicate nanoparticles.
The precipitation of zeolite nanoparticles involves the initial formation of metastable precursors, such as amorphous entities, that crystallize through non-classical pathways. Here, using reactive force field-based simulations, we reveal how aluminosilicate oligomers grow concomitantly to the decondensation of silicate entities during the initial step of the reaction. Aluminate clusters first form in the solution, thus violating the Loewenstein rule in the first instant of the reaction, which is then followed by their connection with silicate oligomers at the terminal silanol groups before reorganization to finally diffuse within the silicate oligomers to form stable amorphous aluminosilicate nanoparticles that do obey the Loewenstein rule. Our results clearly indicate that aluminate does not serve as the nucleation center for the growth of aluminosilicates in a nucleation-like process but rather proceeds via an aggregation process. The coexistence of aluminosilicate oligomers and small silicate entities induces a phase separation that promotes the precipitation of zeolites with aging.
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