Self-Optimisation and Model-Based Design of Experiments for Developing a C–H Activation Flow Process

Alexander Echtermeyer^1,2, Yehia Amar², Jacek Zakrzewski², Alexei Lapkin²

• ¹ Aachener Verfahrenstechnik – Process Systems Engineering, RWTH Aachen University, Aachen, Germany
• ² Department of Chemical Engineering and Biotechnology, University of Cambridge, Cambridge, United Kingdom

A recently described C(sp3)–H activation reaction to synthesise aziridines was used as a model reaction to demonstrate the methodology of developing a process model using model-based design of experiments (MBDoE) and self-optimisation approaches in flow. The two approaches are compared in terms of experimental efficiency. The self-optimisation approach required the least number of experiments to reach the specified objectives of cost and product yield, whereas the MBDoE approach enabled a rapid generation of a process model.

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