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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Item Type: | Article | ||||
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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 | ||||
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. |
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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 |
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Divisions: | 11 Department of Materials and Earth Sciences > Material Science | ||||
Date Deposited: | 01 Jul 2022 11:44 | ||||
Last Modified: | 19 Sep 2022 11:33 | ||||
SWORD Depositor: | Deep Green | ||||
URI: | https://tuprints.ulb.tu-darmstadt.de/id/eprint/21537 | ||||
PPN: | 499091205 | ||||
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