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
Artikel, Zweitveröffentlichung, Verlagsversion

Kurzbeschreibung (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.

Typ des Eintrags:	Artikel
Erschienen:	2022
Autor(en):	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.
Art des Eintrags:	Zweitveröffentlichung
Titel:	Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al₂O₃ Reference Catalyst for CO₂ Methanation
Sprache:	Englisch
Publikationsjahr:	2022
Ort:	Darmstadt
Publikationsdatum der Erstveröffentlichung:	2022
Verlag:	Wiley-VCH
Titel der Zeitschrift, Zeitung oder Schriftenreihe:	ChemCatChem
Jahrgang/Volume einer Zeitschrift:	14
(Heft-)Nummer:	8
Kollation:	18 Seiten
DOI:	10.26083/tuprints-00021537
URL / URN:	https://tuprints.ulb.tu-darmstadt.de/21537
Zugehörige Links:	Verlags-DOI
Herkunft:	Zweitveröffentlichung DeepGreen
Kurzbeschreibung (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.
Alternatives oder übersetztes Abstract:	Alternatives Abstract Sprache 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. Englisch
Freie Schlagworte:	characterization, digitization, methanation, nickel, reference catalyst
Status:	Verlagsversion
URN:	urn:nbn:de:tuda-tuprints-215372
Sachgruppe der Dewey Dezimalklassifikatin (DDC):	500 Naturwissenschaften und Mathematik > 540 Chemie 600 Technik, Medizin, angewandte Wissenschaften > 620 Ingenieurwissenschaften und Maschinenbau
Fachbereich(e)/-gebiet(e):	11 Fachbereich Material- und Geowissenschaften 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft
Hinterlegungsdatum:	01 Jul 2022 11:44
Letzte Änderung:	04 Jul 2022 05:15
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Verfügbare Versionen dieses Eintrags

• Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al₂O₃ Reference Catalyst for CO₂ Methanation. (deposited 01 Jul 2022 11:44) [Gegenwärtig angezeigt]
  • Digitization in catalysis research: towards a holistic description of a Ni/Al2O3 reference catalyst for CO2 methanation. (deposited 12 Jun 2024 08:38)

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