Probing the dynamics of lignin derivatives within different zeolite catalysts for biomass conversion
Lignin is an abundant component of biomass that can be catalytically upgraded into fuels and value-added chemicals. Due to the importance of developing lignin conversion processes, we wish to study the dynamics of model lignin monomers (cresol isomers) within promising acidic zeolite catalysts of varying pore sizes (HY, HBEA, HZSM5). Together, the sub-żeV-energy resolution of the BATS configuration on IN16B in combination with NSE on WASP should capture the long-range diffusion and rare pore-to-pore or catalytic site-to-site jumping of cresol molecules, which is significant to its overall rate of catalysis. Fundamental studies into cresol mobility upon confinement in shape-selective zeolites will contribute greatly to catalyst development for lignin depolymerisation. Experimental mobility data such as diffusion coefficients and activation energies will help validate and parametrise classical computational force-fields for running simulations, which can then be used to study the effect of further catalytic adaptations and explain the slow rate of cresol diffusion on an atomistic scale.
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The recommended format for citing this dataset in a research publication is in the following format:
MORTON Katie; APPEL Markus; Jeff Armstrong; FARAGO Bela and C-L, M. Woodward. (2023). Probing the dynamics of lignin derivatives within different zeolite catalysts for biomass conversion. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.7-05-582
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