ISIS Neutron and Muon Source Data Journal
This is a page describing data taken during an experiment at the ISIS Neutron and Muon Source. Information about the ISIS Neutron and Muon Source can be found at https://www.isis.stfc.ac.uk.
Characterising Bronsted acidity in industrial zeolite catalysts as a function of framework structure and composition
Abstract: 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.
Principal Investigator: Dr Alexander O'Malley
Local Contact: Dr Jeff Armstrong
DOI: 10.5286/ISIS.E.RB1820388
ISIS Experiment Number: RB1820388
| Part DOI | Instrument | Public release date | Download Link |
|---|---|---|---|
| 10.5286/ISIS.E.99691611 | TOSCA | 02 December 2021 | Download |
Publisher: STFC ISIS Neutron and Muon Source
Data format: RAW/Nexus
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Data Citation
The recommended format for citing this dataset in a research
publication is as:
[author], [date], [title], [publisher],
[doi]
For Example:
Dr Alexander O'Malley et al; (2018): Characterising Bronsted acidity in industrial zeolite catalysts as a function of framework structure and composition, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1820388
Data is released under the CC-BY-4.0 license.
