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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, 14 (8)
doi: 10.1002/cctc.202101878
Article, Bibliographie

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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: Bibliographie
Title: Digitization in catalysis research: towards a holistic description of a Ni/Al2O3 reference catalyst for CO2 methanation
Language: English
Date: 22 April 2022
Publisher: Wiley-VCH
Journal or Publication Title: ChemCatChem
Volume of the journal: 14
Issue Number: 8
DOI: 10.1002/cctc.202101878
Corresponding Links:
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.

Uncontrolled Keywords: characterization, digitization, methanation, nickel, reference catalyst
Identification Number: Artikel-ID: e202101878
Divisions: 11 Department of Materials and Earth Sciences
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences > Material Science > In-situ electron microscopy
Date Deposited: 12 Jun 2024 08:38
Last Modified: 12 Jun 2024 12:26
PPN: 519054199
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