Evaluation for the thermokinetics of the autocatalytic reaction of cumene hydroperoxide mixed with phenol through isothermal approaches and simulations

Abstract

In the petrochemical industry, estimation methods based on isothermal micro-calorimetry are used to precisely analyze the thermal hazards and risks associated with chemicals and to develop an inherently safer design (ISD). Here, a thermal activity monitor III (TAM III) was used under various isothermal conditions to obtain the thermokinetics parameters of reaction mechanisms. Cumene hydroperoxide (CHP), a typical organic peroxide, is decomposed by the action of sulfuric acid to yield phenol and acetone in equimolar quantities. CHP undergoes multiple complex reactions when an autocatalytic reaction occurs under isothermal decomposition. The following reaction scheme was considered in this study: A + nB ? (n + 1) B, A ? B, B ? C. This type of reaction generally accelerates as the reactant is consumed, and an autocatalytic substance is produced. As a result, an ISD is required for preparation, manufacturing, transportation, storage, and even elimination. The rich behavioral patterns of these autocatalytic reactions were revealed through multiple specific illustrations. © 2018 Institution of Chemical Engineers