  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 both a physical and a grey-box simulation model, both of which are
calibrated to our measurements. Both models provide valuable insights into the
DAN synthesis. The grey-box approach is useful to incorporate the complex
chemical reaction pathways for DAN synthesis and decomposition that are
currently hard to address with the physical model.

Optimization and Control