The LUSHcat project at University of Jyväskylä explores the catalytic hydrotreatment of lignin by computational methods. Transitioning away from fossil fuels is a grand challenge of the chemical industry. Lignin is a biopolymer found in woody plant material, and a promising alternative feedstock. Kraft lignin is a sidestream of the wood pulping industry that is mainly burned for energy. Treating Kraft lignin with hydrogen in the presence of a suitable catalyst enables the chemical upgrading of biomass into valuable chemicals. However, the process is not currently practically viable, and to develop it further, both experimental and theoretical insight is required. The purpose of this project is to describe how hydrotreatment of lignin proceeds at the atomic level using computational methods based on density functional theory and microkinetic modelling. The acquired deep understanding enables the development of new catalysts for the valorization of biomass.

2024

2028