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:10.2533/chimia.2023.816

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

Chimia (Aarau). 2023 Dec 20;77(12):816-826. doi: 10.2533/chimia.2023.816.

Authors

Matej Žula¹, Miha Grilc², Andrii Kostyniuk³, Giorgio Tofani⁴, Edita Jasiukaitytė-Grojzdek⁵, Tina Ročnik Kozmelj⁶, Ramesh Kumar Chowdari⁷, Žan Lavrič⁸, Janvit Teržan⁹, Brigita Hočevar¹⁰, Ana Jakob¹¹, Emilija Rakić¹², Brett Pomeroy¹³, Miša Mojca Cajnko¹⁴, Filipa A Vicente¹⁵, Dana Marinič¹⁶, Ana Oberlintner¹⁷, Uroš Novak¹¹, Davide Benedetto Tiz¹⁸, Matej Huš¹⁹, Blaž Likozar²⁰

Affiliations

¹ Dept. Catalysis and chemical reaction engineering, National Institute of Chemistry, Ljubljana, SI-1000 Ljubljana, Slovenia. matej.zula@ki.si.
² Dept. Catalysis and chemical reaction engineering, National Institute of Chemistry, Ljubljana, SI-1000 Ljubljana, Slovenia. miha.grilc@ki.si.
³ Dept. Catalysis and chemical reaction engineering, National Institute of Chemistry, Ljubljana, SI-1000 Ljubljana, Slovenia. Andrii.Kostyniuk@ki.si.
⁴ Dept. Catalysis and chemical reaction engineering, National Institute of Chemistry, Ljubljana, SI-1000 Ljubljana, Slovenia. Giorgio.Tofani@ki.si.
⁵ Dept. Catalysis and chemical reaction engineering, National Institute of Chemistry, Ljubljana, SI-1000 Ljubljana, Slovenia. Edita.Jasiukaityte@ki.si.
⁶ Dept. Catalysis and chemical reaction engineering, National Institute of Chemistry, Ljubljana, SI-1000 Ljubljana, Slovenia. Tina.rocnik@ki.si.
⁷ Dept. Catalysis and chemical reaction engineering, National Institute of Chemistry, Ljubljana, SI-1000 Ljubljana, Slovenia. RameshKumar.Chowdari@ki.si.
⁸ Dept. Catalysis and chemical reaction engineering, National Institute of Chemistry, Ljubljana, SI-1000 Ljubljana, Slovenia. zan.lavric@ki.si.
⁹ Dept. Catalysis and chemical reaction engineering, National Institute of Chemistry, Ljubljana, SI-1000 Ljubljana, Slovenia. Janvit.terzan@ki.si.
¹⁰ Dept. Catalysis and chemical reaction engineering, National Institute of Chemistry, Ljubljana, SI-1000 Ljubljana, Slovenia. brigita.hocevar@ki.si.
¹¹ Dept. Catalysis and chemical reaction engineering, National Institute of Chemistry, Ljubljana, SI-1000 Ljubljana, Slovenia.
¹² Dept. Catalysis and chemical reaction engineering, National Institute of Chemistry, Ljubljana, SI-1000 Ljubljana, Slovenia. emilija.rakic@ki.si.
¹³ Dept. Catalysis and chemical reaction engineering, National Institute of Chemistry, Ljubljana, SI-1000 Ljubljana, Slovenia. Brett.pomeroy@ki.si.
¹⁴ Dept. Catalysis and chemical reaction engineering, National Institute of Chemistry, Ljubljana, SI-1000 Ljubljana, Slovenia. misa.cajnko@ki.si.
¹⁵ Dept. Catalysis and chemical reaction engineering, National Institute of Chemistry, Ljubljana, SI-1000 Ljubljana, Slovenia. filipa.andre.vicente@ki.si.
¹⁶ Dept. Catalysis and chemical reaction engineering, National Institute of Chemistry, Ljubljana, SI-1000 Ljubljana, Slovenia. dana.marinic@ki.si.
¹⁷ Dept. Catalysis and chemical reaction engineering, National Institute of Chemistry, Ljubljana, SI-1000 Ljubljana, Slovenia. ana.oberlintner@ki.si.
¹⁸ Dept. Catalysis and chemical reaction engineering, National Institute of Chemistry, Ljubljana, SI-1000 Ljubljana, Slovenia. Davide.Benedetto.Tiz@ki.si.
¹⁹ Dept. Catalysis and chemical reaction engineering, National Institute of Chemistry, Ljubljana, SI-1000 Ljubljana, Slovenia. Matej.hus@ki.si.
²⁰ Dept. Catalysis and chemical reaction engineering, National Institute of Chemistry, Ljubljana, SI-1000 Ljubljana, Slovenia. blaz.likozar@ki.si.

PMID: 38131404
DOI: 10.2533/chimia.2023.816

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.

Keywords: Bioeconomy; Biorefinery; Catalytic conversion; Fractionation and downstream.

Copyright 2023 Blaž Likozar, Matej Žula, Andrii Kostyniuk, Edita Jasiukaitytė-Grojzdek , Giorgio Tofani, Ramesh Kumar Chowdari, Tina Ročnik Kozmelj, Žan Lavrič, Janvit Teržan, Brigita Hočevar, Filipa A. Vicente, Ana Oberlintner, Matej Huš, Davide Benedetto Tiz, Miša Mojca Cajnko, Dana Marinič, Emilija Rakić, Brett Pomeroy, Miha Grilc, Ana Jakob, Uroš Novak. License: This work is licensed under a Creative Commons Attribution 4.0 International License.

Abstract

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