title: Self-optimisation and model-based design of experiments for developing a C-H activation flow process.
abstract: 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.
authors.affiliation: Aachener Verfahrenstechnik - Process Systems Engineering, RWTH Aachen University, Aachen, Germany; Department of Chemical Engineering and Biotechnology, University of Cambridge, Cambridge, United Kingdom.
authors.forename: Alexander
authors.initials: A
authors.lastname: Echtermeyer
authors.affiliation: Department of Chemical Engineering and Biotechnology, University of Cambridge, Cambridge, United Kingdom.
authors.forename: Yehia
authors.initials: Y
authors.lastname: Amar
authors.affiliation: Department of Chemical Engineering and Biotechnology, University of Cambridge, Cambridge, United Kingdom.
authors.forename: Jacek
authors.initials: J
authors.lastname: Zakrzewski
authors.affiliation: Department of Chemical Engineering and Biotechnology, University of Cambridge, Cambridge, United Kingdom.
authors.forename: Alexei
authors.initials: A
authors.lastname: Lapkin
keywords: C–H activation; automated reaction system; design of experiments; flow chemistry; process modelling; self-optimisation