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Diazo compounds are gathering interest for their potential in promotinggreener synthesis routes. We investigate, at a lab-scale, the continuoussynthesis of diazo acetonitrile (DAN) using a micro-structured flow reactor anda flow reaction calorimeter. Data concerning DAN formation in the former, andrelative to reaction heat and gas flow rate in the latter, are collected. Wepresent both a physical and a grey-box simulation model, both of which arecalibrated to our measurements. Both models provide valuable insights into theDAN synthesis. The grey-box approach is useful to incorporate the complexchemical reaction pathways for DAN synthesis and decomposition that arecurrently hard to address with the physical model.

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