Machine-learning assisted optimisation during heterogeneous photocatalytic degradation utilising a static mixer under continuous flow

Abstract

A method for process optimisation using Bayesian optimisation (BO) in combination with a continuous flow photoreactor is presented. The photodegradation of an azo dye, as a proof-of-concept model reaction, using a novel TiO₂ coated catalytic static mixer (CSM) was optimised using this BO method. The optimal temperature and flow rate were found after conducting 17 experimental runs, with an overall experiment run time of 21 hours. With full automation of the reactor into a closed loop system, this optimisation process can be carried out in under one day with almost no human intervention. Importantly, the algorithm presented successfully accounts for the challenges of catalyst degradation during processing.