Runaway reaction and thermal hazards simulation of cumene hydroperoxide by DSC

Abstract

A simplified self-heating rate equation was developed to simulate the adiabatic thermal hazards of 88 mass% cumene hydroperoxide (CHP) in cumene. CHP has been predominantly used in producing phenol and acetone by catalytic cleavage and as initiator in the acrylonitrile–butadiene–styrene (ABS) copolymer polymerization process. In this study, we acquired experimental data, such as the heat of decomposition (Δ H d ) and exothermic onset temperature ( T 0) by differential scanning calorimetry (DSC). The data were, in turn, used to simulate a runaway reaction and thermal analysis on 88 mass% CHP under various scenarios. The thermal safety software (TSS) series was employed to evaluate reaction kinetics, to simulate the runaway excursion of interest and to allow determination of critical conditions or thermal explosion of the tank. The liquid thermal explosion (LTE) model to simulate thermal explosion of CHP is aimed at ensuring safe storage or transportation. The reliability of both model simulations was assessed by experimentally comparing the thermal hazards with DSC. This simplified methodology is a sound, efficient tool for thermal hazards assessment of energetic chemicals.