ISIS Neutron and Muon Source Data Journal

Methanol dynamics in different CHA-type zeolite catalysts

Abstract: The increasing demand for fuel and bulk chemicals across the globe and the need to reduce carbon emissions has prompted significant research into more sustainable, and economical, feedstocks to crude oil such as biomass and syngas derived methanol both of which could be used in methanol-to-hydrocarbons (MTH) processes. CHA-type zeolites, specifically H-SAPO-34, have shown promise for use in the methanol-to-olefins (MTO) reaction and will play a key role in future fuel and chemicals production. Despite the important commercial application of zeolites in the methanol-to-olefins (MTO) process, the exact mechanisms are very complex and still debated. The initial step involves the diffusion of methanol to the active site and interaction with Brønsted acidic sites. The rate at which these molecules diffuse through the CHA framework is of great importance to the catalytic process, and the effect that catalyst structure and composition has on such behaviour is of significant interest. The aim of this work is to measure the self-diffusivities/rotational rates and decipher any diffusion mechanisms (such as jump diffusion) of methanol within different CHA-type zeolite catalysts using QENS. The Si/Al (dictating the concentration of Bronsted acidic active sites) will be varied, in order to quantify and hindrances to diffusion or rotation in the catalyst. Such an understanding of the dynamical behaviour will be of crucial importance to the design and optimisation of future MTO catalysts.

Principal Investigator: Dr Alexander O'Malley
Experimenter: Miss Claire-Louise Woodward
Local Contact: Dr Jeff Armstrong
Experimenter: Mr Harvey Draper
Experimenter: Mr George Dunkley

DOI: 10.5286/ISIS.E.RB2310557

ISIS Experiment Number: RB2310557

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; (2025): Methanol dynamics in different CHA-type zeolite catalysts, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2310557

Data is released under the CC-BY-4.0 license.