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

Author:

Žula Matej,Grilc MihaORCID,Kostyniuk AndriiORCID,Tofani GiorgioORCID,Jasiukaitytė-Grojzdek Edita,Ročnik Kozmelj Tina,Kumar Chowdari Ramesh,Lavrič Žan,Teržan JanvitORCID,Hočevar BrigitaORCID,Jakob Ana,Rakić Emilija,Pomeroy BrettORCID,Cajnko Miša Mojca,A. Vicente FilipaORCID,Marinič DanaORCID,Oberlintner AnaORCID,Novak Uroš,Benedetto Tiz DavideORCID,Huš MatejORCID,Likozar Blaž

Abstract

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.

Funder

Javna Agencija za Raziskovalno Dejavnost RS

Horizon 2020 Framework Programme

Publisher

Swiss Chemical Society

Subject

General Medicine,General Chemistry

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