1. Continuous Synthesis of Diazo Acetonitrile: From Experiments to Physical and Grey‐Box Modeling.
- Author
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Baldan, Marco, Blauth, Sebastian, Bošković, Dušan, Leithäuser, Christian, Mendl, Alexander, Radulescu, Ligia, Schwarzer, Maud, Wegner, Heinrich, and Bortz, Michael
- Subjects
ACETONITRILE ,HEAT of reaction ,CHEMICAL reactions ,GAS flow ,SUSTAINABLE chemistry ,DIAZO compounds - 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. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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