Probing Interactions between Brønsted Acid sites and Phenolic Lignin Monomers for Model Development of Biomass Conversions in Zeolites


We propose to measure the vibrational spectra of phenolic lignin monomers phenol and catechol in zeolite Beta, in order to understand further the interactions of these important biomass building blocks with Brønsted Acid sites in promising catalysts for the conversion of biomass to valuable chemicals. Spectral shifting of vibrational bands of both the catalyst Brønsted acid sites and monomer OH groups will be of great value in parameterising classical simulationforcefields, particularly when combined with our DFT calculations, MD simulations and QENS experiments. We therefore aim to learn about important sorbate-catalyst interactions in these promising systems for sustainable chemicals production, while also using our observations to develop computational models of zeolite catalysed biomass conversions which are viable over the nanometre/nanosecond scale

Metadata Access
Creator Dr Jeff Armstrong; Dr Alexander O'Malley; Dr Carlos Ernesto Hernandez Tamargo
Publisher ISIS Neutron and Muon Source
Publication Year 2021
Rights CC-BY Attribution 4.0 International;
OpenAccess true
Contact isisdata(at)
Resource Type Dataset
Discipline Chemistry; Natural Sciences
Temporal Coverage Begin 2018-03-23T09:00:00Z
Temporal Coverage End 2018-03-25T08:00:00Z