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  4. Continuous Synthesis of Diazo Acetonitrile: From Experiments to Physical and Grey‐Box Modeling
 
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March 2024
Journal Article
Title

Continuous Synthesis of Diazo Acetonitrile: From Experiments to Physical and Grey‐Box Modeling

Abstract
Diazo compounds are gathering interest for their potential in promoting greener synthesis routes. We investigate, at a lab‐scale, the continuous synthesis of diazo acetonitrile (DAN) using a micro‐structured flow reactor and a flow reaction calorimeter. Data concerning DAN formation in the former, and relative to reaction heat and gas flow rate in the latter, are collected. We present a physical and a grey‐box model, both of which are calibrated to our data. Compared to the physical model, the grey‐box approach allows to better incorporate the complex chemical reaction pathways of DAN.
Author(s)
Baldan, Marco  
Fraunhofer-Institut für Techno- und Wirtschaftsmathematik ITWM  
Blauth, Sebastian  
Fraunhofer-Institut für Techno- und Wirtschaftsmathematik ITWM  
Boskovic, Dusan  
Fraunhofer-Institut für Chemische Technologie ICT  
Leithäuser, Christian  
Fraunhofer-Institut für Techno- und Wirtschaftsmathematik ITWM  
Mendl, Alexander  orcid-logo
Fraunhofer-Institut für Chemische Technologie ICT  
Radulescu, Ligia Johanna
Fraunhofer-Institut für Chemische Technologie ICT  
Schwarzer, Maud  
Fraunhofer-Institut für Chemische Technologie ICT  
Wegner, Heinrich
Fraunhofer-Institut für Chemische Technologie ICT  
Bortz, Michael  
Fraunhofer-Institut für Techno- und Wirtschaftsmathematik ITWM  
Journal
Chemie- Ingenieur- Technik  
Open Access
File(s)
Download (1.98 MB)
Rights
CC BY-NC-ND 4.0: Creative Commons Attribution-NonCommercial-NoDerivatives
DOI
10.1002/cite.202300191
10.24406/publica-2901
Additional full text version
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Language
English
Fraunhofer-Institut für Chemische Technologie ICT  
Fraunhofer-Institut für Techno- und Wirtschaftsmathematik ITWM  
Keyword(s)
  • Continuous flow chemistry

  • Diazo acetonitrile

  • Green chemistry

  • Grey-box modeling

  • Parameter identification

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