Characterising Bronsted acidity in industrial zeolite catalysts as a function of framework structure and composition

DOI

The vibrational spectrum of Brønsted acid sites in commercial zeolite catalysts as a function of framework topology and composition (Si/Al ratio) will be studied using the recently upgraded TOSCA instrument, now capable of such studies. Zeolites H-ZSM-5 (Si/Al = 25, 40, 80 and 280), HY ((30 and 80) and H-Beta (38 and 300) will be studied and the vibrational properties of the O-H Brønsted acid sites compared. The effect of topology and framework composition on the acidity (characterised by O-H vibrational properties) will be compared directly with QM/MM embedded cluster simulations to help explain such structure/composition effects, thus directly assisting in the design of improved acidic zeolite catalysts.

Identifier
DOI https://doi.org/10.5286/ISIS.E.99691611
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/99691611
Provenance
Creator Dr Jeff Armstrong; Dr Alexander O'Malley
Publisher ISIS Neutron and Muon Source
Publication Year 2021
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Chemistry; Natural Sciences
Temporal Coverage Begin 2018-11-28T09:00:00Z
Temporal Coverage End 2018-12-02T10:08:56Z