CHIMIA (Dec 2023)

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

  • Matej Žula,
  • Miha Grilc,
  • Andrii Kostyniuk,
  • Giorgio Tofani,
  • Edita Jasiukaitytė-Grojzdek ,
  • Tina Ročnik Kozmelj,
  • Ramesh Kumar Chowdari,
  • Žan Lavrič,
  • Janvit Teržan,
  • Brigita Hočevar,
  • Ana Jakob,
  • Emilija Rakić,
  • Brett Pomeroy,
  • Miša Mojca Cajnko,
  • Filipa A. Vicente,
  • Dana Marinič,
  • Ana Oberlintner,
  • Uroš Novak,
  • Davide Benedetto Tiz,
  • Matej Huš,
  • Blaž Likozar

DOI
https://doi.org/10.2533/chimia.2023.816
Journal volume & issue
Vol. 77, no. 12

Abstract

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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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