AUTHOR=Ashikari Yosuke , Tamaki Takashi , Takahashi Yusuke , Yao Yiyue , Atobe Mahito , Nagaki Aiichiro TITLE=Investigation of Parameter Control for Electrocatalytic Semihydrogenation in a Proton-Exchange Membrane Reactor Utilizing Bayesian Optimization JOURNAL=Frontiers in Chemical Engineering VOLUME=3 YEAR=2022 URL=https://www.frontiersin.org/journals/chemical-engineering/articles/10.3389/fceng.2021.819752 DOI=10.3389/fceng.2021.819752 ISSN=2673-2718 ABSTRACT=

Owing to its applicability in sustainable engineering, flow electrochemical synthesis in a proton-exchange membrane (PEM) reactor has attracted considerable attention. Because the reactions in PEM reactors are performed under electro-organic and flow-synthetic conditions, a higher number of reaction parameters exist compared to ordinary reactions. Thus, the optimization of such reactions requires significant amounts of energy, time, chemical and human resources. Herein, we show that the optimization of alkyne semihydrogenation in PEM reactors can be facilitated by means of Bayesian optimization, an applied mathematics strategy. Applying the optimized conditions, we also demonstrate the generation of a deuterated Z-alkene.