Mechanistic Insight into the Framework Methylation of H-ZSM-5 for Varying Methanol Loadings and Si/Al Ratios Using First-Principles Molecular Dynamics Simulations-Reference-Cited by-同舟云学术

Mechanistic Insight into the Framework Methylation of H-ZSM-5 for Varying Methanol Loadings and Si/Al Ratios Using First-Principles Molecular Dynamics Simulations

Published:2020-07-12 Issue:15 Volume:10 Page:8904-8915
ISSN:2155-5435
Container-title:ACS Catalysis
language:en
Short-container-title:ACS Catal.

Author:

Nastase Stefan A. F.¹,Cnudde Pieter²^ORCID,Vanduyfhuys Louis²,De Wispelaere Kristof²^ORCID,Van Speybroeck Veronique²^ORCID,Catlow C. Richard A.¹³⁴,Logsdail Andrew J.¹^ORCID

Affiliation:

1. Cardiff Catalysis Institute, School of Chemistry, Cardiff University, Cardiff CF10 3AT, U.K.

2. Center for Molecular Modeling, Ghent University, Zwijnaarde, Ghent 9000, Belgium

3. Department of Chemistry, University College London, 20 Gordon Street, London WC1E 6BT, U.K.

4. UK Catalysis Hub, Research Complex at Harwell, Science and Technology Facilities Council, Rutherford Appleton Laboratory, Oxford OX11 0FA, U.K.

Funder

Engineering and Physical Sciences Research Council

Universiteit Gent

Fonds Wetenschappelijk Onderzoek

Cardiff University

H2020 European Research Council

Publisher

American Chemical Society (ACS)

Subject

Catalysis,General Chemistry

Link

http://pubs.acs.org/doi/pdf/10.1021/acscatal.0c01454

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4. Advances in porous and nanoscale catalysts for viable biomass conversion

5. The methanol-to-hydrocarbons reaction: insight into the reaction mechanism from [12C]benzene and [13C]methanol coreactions over zeolite H-beta

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