Probing the dynamics of anisole and guaiacol within Brønsted acidic zeolites 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 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.