Ab initio study of methanol and ethanol adsorption on Brønsted sites in zeolite H-MFI
Author:
Affiliation:
1. Institut für Chemie
2. Humboldt Universität zu Berlin
3. 10099 Berlin
4. Germany
5. Department of Chemistry and Applied Biosciences
Abstract
Ethanol in zeolite H-MFI: passing from DFT to MP2 and taking anharmonicity into account changes enthalpies of adsorption significantly.
Funder
Deutsche Forschungsgemeinschaft
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP03632B
Reference47 articles.
1. Various routes to methane utilization—SAPO-34 catalysis offers the best option
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5. The Mechanism of Methanol to Hydrocarbon Catalysis
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