CC BY-NC-ND 4.0Baldan, MarcoMarcoBaldanBlauth, SebastianSebastianBlauthBoskovic, DusanDusanBoskovicLeithäuser, ChristianChristianLeithäuserMendl, AlexanderAlexanderMendlRadulescu, Ligia JohannaLigia JohannaRadulescuSchwarzer, MaudMaudSchwarzerWegner, HeinrichHeinrichWegnerBortz, MichaelMichaelBortz2024-04-082024-04-082024-03https://publica.fraunhofer.de/handle/publica/465842https://doi.org/10.24406/publica-290110.1002/cite.20230019110.24406/publica-2901Diazo 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.enContinuous flow chemistryDiazo acetonitrileGreen chemistryGrey-box modelingParameter identificationjournal article