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Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al₂O₃ Reference Catalyst for CO₂ Methanation

Weber, Sebastian ; Zimmermann, Ronny T. ; Bremer, Jens ; Abel, Ken L. ; Poppitz, David ; Prinz, Nils ; Ilsemann, Jan ; Wendholt, Sven ; Yang, Qingxin ; Pashminehazar, Reihaneh ; Monaco, Federico ; Cloetens, Peter ; Huang, Xiaohui ; Kübel, Christian ; Kondratenko, Evgenii ; Bauer, Matthias ; Bäumer, Marcus ; Zobel, Mirijam ; Gläser, Roger ; Sundmacher, Kai ; Sheppard, Thomas L. (2022)
Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al₂O₃ Reference Catalyst for CO₂ Methanation.
In: ChemCatChem, 2022, 14 (8)
doi: 10.26083/tuprints-00021537
Article, Secondary publication, Publisher's Version

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Abstract

There is considerable motivation in the catalysis community and chemical industry to envision a future where rational catalyst design and targeted chemical process optimization become standard. Achieving this goal for heterogeneous catalysis requires a cultural shift centered around effective research data management. The core elements of modern catalysis research are synthesis, characterization, and testing, while all can be elevated by effective collection, correlation, interoperation, and exploitation of data between disciplines and stakeholders. Here, first steps are made towards a holistic picture of an industrial Ni/Al₂O₃ reference catalyst for CO₂ methanation. A range of conventional and advanced characterization tools are applied to probe metal particle size and pore characteristics of the support, selected as crucial parameters for catalyst performance. Challenges are shown with respect to current reporting of characterization data and metadata, which ultimately influences the development and reliability of digital twins in catalysis research. Furthermore, the cooperation and combined expertise of diverse research groups from different fields is recognized as essential to deliver meaningful progress towards the digital future of catalysis research.

Item Type: Article
Erschienen: 2022
Creators: Weber, Sebastian ; Zimmermann, Ronny T. ; Bremer, Jens ; Abel, Ken L. ; Poppitz, David ; Prinz, Nils ; Ilsemann, Jan ; Wendholt, Sven ; Yang, Qingxin ; Pashminehazar, Reihaneh ; Monaco, Federico ; Cloetens, Peter ; Huang, Xiaohui ; Kübel, Christian ; Kondratenko, Evgenii ; Bauer, Matthias ; Bäumer, Marcus ; Zobel, Mirijam ; Gläser, Roger ; Sundmacher, Kai ; Sheppard, Thomas L.
Type of entry: Secondary publication
Title: Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al₂O₃ Reference Catalyst for CO₂ Methanation
Language: English
Date: 2022
Place of Publication: Darmstadt
Year of primary publication: 2022
Publisher: Wiley-VCH
Journal or Publication Title: ChemCatChem
Volume of the journal: 14
Issue Number: 8
Collation: 18 Seiten
DOI: 10.26083/tuprints-00021537
URL / URN: https://tuprints.ulb.tu-darmstadt.de/21537
Corresponding Links:
Origin: Secondary publication DeepGreen
Abstract:

There is considerable motivation in the catalysis community and chemical industry to envision a future where rational catalyst design and targeted chemical process optimization become standard. Achieving this goal for heterogeneous catalysis requires a cultural shift centered around effective research data management. The core elements of modern catalysis research are synthesis, characterization, and testing, while all can be elevated by effective collection, correlation, interoperation, and exploitation of data between disciplines and stakeholders. Here, first steps are made towards a holistic picture of an industrial Ni/Al₂O₃ reference catalyst for CO₂ methanation. A range of conventional and advanced characterization tools are applied to probe metal particle size and pore characteristics of the support, selected as crucial parameters for catalyst performance. Challenges are shown with respect to current reporting of characterization data and metadata, which ultimately influences the development and reliability of digital twins in catalysis research. Furthermore, the cooperation and combined expertise of diverse research groups from different fields is recognized as essential to deliver meaningful progress towards the digital future of catalysis research.

Alternative Abstract:
Alternative abstract Language

The present study introduces an industrial Ni/Al₂O₃ catalyst, which is applied as reference material for CO₂ methanation in the SPP2080. Detailed characterization and testing studies were performed and discussed in the frame of digitization. The work highlights challenges and open questions on how to report characterization data towards a digital twin.

English
Uncontrolled Keywords: characterization, digitization, methanation, nickel, reference catalyst
Status: Publisher's Version
URN: urn:nbn:de:tuda-tuprints-215372
Classification DDC: 500 Science and mathematics > 540 Chemistry
600 Technology, medicine, applied sciences > 620 Engineering and machine engineering
Divisions: 11 Department of Materials and Earth Sciences
11 Department of Materials and Earth Sciences > Material Science
Date Deposited: 01 Jul 2022 11:44
Last Modified: 04 Jul 2022 05:15
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