(256h) Isoconversional Reaction Kinetics Using Isothermal Reaction Calorimetry

Reaction mechanism elucidation can be an experimentally expensive process, especially for complex multi-step reactions. Isoconversional kinetic methods may allow for accurate prediction of reaction rates with less experimental burden and no a priori knowledge of mechanistic elementary steps, which may be especially useful for early stage and process safety applications. An isoconversional kinetic model was applied to several model reactions by fitting kinetic data obtained using an isothermal heat-flow reaction calorimeter. It is shown that accurate predictions of reaction rates at different temperatures can be obtained without knowledge of reaction mechanisms. For multi-step reactions, changes in the apparent activation energy and pre-exponential factors hint at changes in the rate limiting step. We show the isoconversional apparent activation energy and pre-exponential factors can be used to inform mechanistic models for multi-step reactions.