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Study on the Synthesis of Chabazite Zeolites via Interzeolite Conversion of Faujasites.

ABSTRACT: The interzeolite conversion of faujasite (FAU-type) zeolites to chabazite (CHA-type) zeolite in the presence of N,N,N-trimethyladamantammonium and N,N,N-dimethylethylcyclohexylammonium cations was investigated over a large compositional range by carefully controlling the reaction mixture compositions. Highly crystalline CHA zeolites were also obtained by the transformation of several zeolite types including EMT, LTL, LEV, RTH, and MFI frameworks. The formation of CHA zeolite from FAU zeolite precursors was substantially faster than that from zeolite L with a similar composition. High-silica CHA zeolites were also produced successfully using a mixture of TMAda with a number of less expensive organic structure-directing agents. The CHA zeolite materials have been synthesized with high crystallinity and with a Si/Al ratio ranging from 5 to 140. Our data support the importance of structural similarity between the zeolite precursors, nucleation/crystallization processes, and the zeolite product in the interzeolite conversion compared to conventional amorphous aluminosilicate gels. Our synthetic methods could be used to prepare other 8-membered ring zeolites such as AEI and AFX frameworks, potential candidates for selective catalytic reduction of NOx, light olefin production, and CO₂ abatement.

SUBMITTER: Dang LV

PROVIDER: S-EPMC8024103 | biostudies-literature | 2021

REPOSITORIES: biostudies-literature

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Study on the Synthesis of Chabazite Zeolites via Interzeolite Conversion of Faujasites.

Dang Long Van LV Nguyen Thu Thi Minh TTM Do Dang Van DV Le Son Thanh ST Pham Trong Dinh TD Le Anh Thi Mai ATM

Journal of analytical methods in chemistry 20210329

The interzeolite conversion of faujasite (FAU-type) zeolites to chabazite (CHA-type) zeolite in the presence of N,N,N-trimethyladamantammonium and N,N,N-dimethylethylcyclohexylammonium cations was investigated over a large compositional range by carefully controlling the reaction mixture compositions. Highly crystalline CHA zeolites were also obtained by the transformation of several zeolite types including EMT, LTL, LEV, RTH, and MFI frameworks. The formation of CHA zeolite from FAU zeolite pre ...[more]

PMID: 33859863

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Project description:Control of the spatial proximity of Brønsted acid sites within the zeolite framework can result in materials with properties that are distinct from materials synthesized through conventional crystallization methods or available from commercial sources. Recent experimental evidence has shown that turnover rates of different acid-catalyzed reactions increase with the fraction of proximal sites in chabazite (CHA) zeolites. The catalytic conversion of oxygenates is an important research area, and the dehydration of methanol to dimethyl ether (DME) is a well-studied reaction as part of methanol-to-olefin chemistry catalyzed by solid acids. Published experimental data have shown that DME formation rates (per acid site) increase systematically with the fraction of proximal acid sites in the six-membered ring of CHA. Here, we probe the effect of acid site proximity in CHA on methanol dehydration rates using electronic structure calculations and microkinetic modeling to identify the primary causes of this chemistry and their relationship to the local structure of the catalyst at the nanoscale. We report a density functional theory-parametrized microkinetic model of methanol dehydration to DME, catalyzed by acidic CHA zeolite with direct comparison to experimental data. Effects of proximal acid sites on reaction rates were captured quantitatively for a range of operating conditions and catalyst compositions, with a focus on total paired acid site concentration and reactant clustering to form higher nuclearity complexes. Next-nearest neighbor paired acid sites were identified as promoting the formation of methanol trimer clusters rather than the inhibiting tetramer or pentamer clusters, resulting in large increases in the rate for DME production due to the lower energy barriers present in the concerted methanol trimer reaction pathway. The model framework developed in this study can be extended to other zeolite materials and reaction chemistries toward the goal of rational design and development of next-generation catalytic materials and chemical processes.

Dataset Information

Study on the Synthesis of Chabazite Zeolites via Interzeolite Conversion of Faujasites.

Publications

Study on the Synthesis of Chabazite Zeolites via Interzeolite Conversion of Faujasites.

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