Simulation approach to benzoyl peroxide decomposition kinetics by thermal calorimetric technique

Abstract

To explore the thermal runaway behavior of benzoyl peroxide (BPO) in industrial processes during upsets situations and to compare the difference of values between simulation and experimentation, two calorimeters, differential scanning calorimetry (DSC) and vent sizing package 2 (VSP2), were employed to measure thermokinetic data of the thermal decomposition of BPO, and to calculate values of parameters by simulation approach, which were based on kinetic models and the thermal safety software. This study shows the novel finding that benzoyl peroxide (BPO) has an autocatalytic reaction at low temperature. The simulation results showed that the Ea value was 124kJ/mol by VSP2 tests. The Ea value was much closer to Zaman's studies than the Ea values developed by the Kissinger and/or Ozawa methods. The Ea value resulting from the optimal fit approach average was 91.47±17.69kJ/mol also closer to Zaman's studies than values from the Kissinger and Ozawa methods.