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Biorefining Twin Transition: Digitalisation for Bio-based Chemicals/Materials - Discovery, Design and Optimisation.

Matej ŽulaMiha GrilcAndrii KostyniukGiorgio TofaniEdita Jasiukaitytė-GrojzdekTina Ročnik KozmeljRamesh Kumar ChowdariŽan LavričJanvit TeržanBrigita HočevarAna JakobEmilija RakićBrett PomeroyMiša Mojca CajnkoFilipa A VicenteDana MariničAna OberlintnerUroš NovakDavide Benedetto TizMatej HušBlaž Likozar
Published in: Chimia (2023)
The article discusses the production of platform chemicals from various biological sources, including glycerol, lignin, cellulose, bio-oils, and sea products. It presents the results of catalytic and downstream processes involved in the conversion of these biomass-derived feedstocks. The experimental approaches are complemented by numerical descriptions, ranging from density functional theory (DFT) calculations to kinetic modellingof the experimental data. This multi-scale modelling approach helps to understand the underlying mechanisms and optimize the production of platform chemicals from renewable resources.
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