Multilevel quantum mechanical calculations show the role of promoter molecules in the dehydration of methanol to dimethyl ether in H-ZSM-5 Article Swipe

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Joe Crossley-Lewis , Josh Dunn , Isabel F. Hickman , Fiona Jackson , Glenn J. Sunley , Corneliu Buda , Adrian J. Mulholland , Neil L. Allan ·

YOU? · · 2024 · Open Access · · DOI: https://doi.org/10.1039/d3cp05987a

Multilevel ab initio calculations reveal the role of promoters in the dehydration of methanol in H-ZSM-5.

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Dimethyl ether Methanol Dehydration Zeolite Molecule Chemistry Ether ZSM-5 Carboxylate Computational chemistry Organic chemistry Catalysis Biochemistry

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Type: article
Language: en
Landing Page: https://doi.org/10.1039/d3cp05987a
PDF: https://pubs.rsc.org/en/content/articlepdf/2024/cp/d3cp05987a
OA Status: hybrid
Cited By: 4
References: 103
Related Works: 10
OpenAlex ID: https://openalex.org/W4398150890

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DOI: https://doi.org/10.1039/d3cp05987a

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Title: Multilevel quantum mechanical calculations show the role of promoter molecules in the dehydration of methanol to dimethyl ether in H-ZSM-5

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Type: article

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Language: en

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Publication year: 2024

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Publication date: 2024-01-01

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Authors: Joe Crossley-Lewis, Josh Dunn, Isabel F. Hickman, Fiona Jackson, Glenn J. Sunley, Corneliu Buda, Adrian J. Mulholland, Neil L. Allan

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Landing page: https://doi.org/10.1039/d3cp05987a

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Concepts: Dimethyl ether, Methanol, Dehydration, Zeolite, Molecule, Chemistry, Ether, ZSM-5, Carboxylate, Computational chemistry, Organic chemistry, Catalysis, Biochemistry

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Cited by: 4

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