Automated Multitrajectory Method for Reaction Optimization in a Microfluidic System using Online IR Analysis

Abstract

An automated multitrajectory optimization platform with continuous online infrared (IR) monitoring is presented. The production rate of a Paal–Knorr reaction is maximized within a constrained temperature and residence time design space. The automated platform utilizes a microreactor system to carry out optimizations with low material requirements and implements a micro IR flow cell for continuous online monitoring of reaction conversion. The approach to steady state at each set of reaction conditions is assessed continuously before the objective function is evaluated and reactor conditions move to the next set point. Several optimization algorithms are tested for their performance on a complex objective terrain. Each function comes to agreement on the optimal conditions but requires a significantly different number of experiments to reach the final conditions. Additionally, multiple objective functions are compared to analyze the trade-off between production rate and conversion.