title: Closed-Loop Multitarget Optimization for Discovery of New Emulsion Polymerization Recipes.
abstract: Self-optimization of chemical reactions enables faster optimization of reaction conditions or discovery of molecules with required target properties. The technology of self-optimization has been expanded to discovery of new process recipes for manufacture of complex functional products. A new machine-learning algorithm, specifically designed for multiobjective target optimization with an explicit aim to minimize the number of "expensive" experiments, guides the discovery process. This "black-box" approach assumes no a priori knowledge of chemical system and hence particularly suited to rapid development of processes to manufacture specialist low-volume, high-value products. The approach was demonstrated in discovery of process recipes for a semibatch emulsion copolymerization, targeting a specific particle size and full conversion.
authors.affiliation: Department of Chemical Engineering and Biotechnology, University of Cambridge , Pembroke Street, New Museums Site, Cambridge CB2 3RA, United Kingdom.
authors.forename: Claudia
authors.initials: C
authors.lastname: Houben
authors.affiliation: Department of Chemical Engineering and Biotechnology, University of Cambridge , Pembroke Street, New Museums Site, Cambridge CB2 3RA, United Kingdom.
authors.forename: Nicolai
authors.initials: N
authors.lastname: Peremezhney
authors.affiliation: Department of Chemical Engineering, University of Chemistry and Technology , Technicka 5, 166 28 Prague, Czech Republic.
authors.forename: Alexandr
authors.initials: A
authors.lastname: Zubov
authors.affiliation: Department of Chemical Engineering, University of Chemistry and Technology , Technicka 5, 166 28 Prague, Czech Republic.
authors.forename: Juraj
authors.initials: J
authors.lastname: Kosek
authors.affiliation: Department of Chemical Engineering and Biotechnology, University of Cambridge , Pembroke Street, New Museums Site, Cambridge CB2 3RA, United Kingdom.
authors.forename: Alexei A
authors.initials: AA
authors.lastname: Lapkin