• Media type: E-Article
  • Title: Continuous Synthesis of Diazo Acetonitrile: From Experiments to Physical and Grey‐Box Modeling
  • Contributor: Baldan, Marco; Blauth, Sebastian; Bošković, Dušan; Leithäuser, Christian; Mendl, Alexander; Radulescu, Ligia; Schwarzer, Maud; Wegner, Heinrich; Bortz, Michael
  • Published: Wiley, 2024
  • Published in: Chemie Ingenieur Technik, 96 (2024) 5, Seite 658-670
  • Language: German
  • DOI: 10.1002/cite.202300191
  • ISSN: 0009-286X; 1522-2640
  • Origination:
  • Footnote:
  • Description: AbstractDiazo 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.