Thermal stability of lauroyl peroxide by isoconversional kinetics evaluation and finite element analysis

Lauroyl peroxide (LPO) is a commonly used organic peroxide that has caused many thermal runaway reactions and explosions worldwide. Differential scanning calorimetry (DSC) was used to investigate the thermal decomposition of LPO and its exothermic onset temperature, reaction heat, and other safety parameters for prevention of runaway reactions and thermal explosions. Pre-exponential factor and apparent activation energy were determined by Friedman isoconversional method, which demonstrates that the decomposition of LPO shows a multi-step nature. The kinetic parameters and heat balance were analyzed and used for simulation of the adiabatic behavior time to maximum rate under adiabatic conditions (TMR_ad) and self-accelerating decomposition temperature (SADT). When the initial temperature is 32.7°C, TMR_ad equals 24h and calculated SADT of LPO is 45°C. Application of finite element analysis (FEA) and accurate kinetic description allows determining the effect of scale, geometry, heat transfer, thermal conductivity, and ambient temperature on the heat accumulation. The reaction progress (α) and temperature distribution can be determined quantitatively at every point in time and space. This information is essential for the design of containers of LPO, cooling systems, and the measures to be taken in the event of a cooling failure.