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

DOI

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.

Identifier
DOI https://doi.org/10.5286/ISIS.E.87772570
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/87772570
Provenance
Creator Dr Carlos Ernesto Hernandez Tamargo; Dr Ian Silverwood; Dr Alexander O'Malley; Professor Richard Catlow
Publisher ISIS Neutron and Muon Source
Publication Year 2020
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 2017-09-21T08:00:00Z
Temporal Coverage End 2017-09-25T08:00:00Z