Reactor performance estimation in microscale flow calorimeter for rapid characterization of exothermic reactions

Abstract Continuous flow calorimeters are a promising tool in process development and safety engineering, especially for chemistry applications to characterize the heat release kinetic parameters of rapid chemical reactions. In this study, digital accompaniment an isoperibolic calorimeter characterization exothermic reactions is presented. To support experimental planning evaluation, computational fluid dynamic simulations carried out single-phase microreactor. The residence time distribution obtained used estimation conversion temperature profiles along microreactor channel. This leads integration CFD into calorimeter’s software-guided workflow reducing effort regarding determination thermokinetic data. approach tested highly test reaction, which provides further hints future investigations. Article highlights • Estimation within microscale Combination reactor performance Approach was oxidation sodium thiosulfate Estimated good agreement with data Graphical abstract