ISIS Neutron and Muon Source Data Journal

Probing the Mobility of Simple Phenolic Lignin Monomers for Model Development of Biomass Conversions in Zeolites

Abstract: Due to the importance of developing efficient biomass conversion processes, the mobility of lignin constituents phenol and catechol in zeolite Beta will be studied using QENS. Lignin is one of the most abundant biomass constituents, and accurate simulation of its components in promising catalysts is highly desirable. Experimental mobility data such as diffusion coefficients, activation energies and jump diffusion residence times will form a significant empirical component of interatomic potential parameters being developed from DFT calculations. Changes in molecular structure like the presence of the extra OH group in catechol can significantly impact the interaction of the sorbate with the catalytic active sites. Fundamental studies into the effect of this interaction change on mobility will contribute greatly to the long term study and catalyst development for lignin depolymerisation.

Principal Investigator: Dr Alexander O'Malley
Experimenter: Dr Carlos Ernesto Hernandez Tamargo
Local Contact: Dr Ian Silverwood
Experimenter: Professor Richard Catlow

DOI: 10.5286/ISIS.E.RB1720221

ISIS Experiment Number: RB1720221

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; (2017): Probing the Mobility of Simple Phenolic Lignin Monomers for Model Development of Biomass Conversions in Zeolites, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1720221

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