ISIS Neutron and Muon Source Data Journal

Probing the dynamics of anisole and guaiacol within Brønsted acidic zeolites for biomass conversion

Abstract: Lignin is an abundant component of biomass that can be catalytically upgraded into fuels and value-added chemicals. Due to the importance of developing efficient lignin conversion processes, the mobility of anisole and guaiacol (model lignin monomers with methoxyl functionalities) in the promising zeolite catalysts (HY, HBEA and HZSM5) with varying pore sizes will be studied using QENS, to complement a previous QENS study on cresol isomers with hydroxyl functionalities in HY and HBEA (RB2000235). Experimental mobility data such as diffusion coefficients and activation energies will help validate classical computational forcefields. Changes in the molecular shape and functionalities can significantly impact their dynamics, especially through shape-selective catalysts. Fundamental studies into their mobility upon confinement, a rate-limiting step in their catalysis, will contribute greatly to catalyst development for lignin depolymerisation.

Principal Investigator: Dr Alexander O'Malley
Experimenter: Mr George Dunkley
Experimenter: Ms Katie Morton
Experimenter: Mr Harvey Draper
Local Contact: Dr Jeff Armstrong

DOI: 10.5286/ISIS.E.RB2310031

ISIS Experiment Number: RB2310031

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): Probing the dynamics of anisole and guaiacol within Brønsted acidic zeolites for biomass conversion, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2310031

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