A green approach towards adoption of chemical reaction model on 2,5-dimethyl-2,5-di-(tert-butylperoxy)hexane decomposition by differential isoconversional kinetic analysis

Abstract

This study investigated the thermal degradation products of 2,5-dimethyl-2,5-di-(tert-butylperoxy) hexane (DBPH), by TG/GC/MS to identify runaway reaction and thermal safety parameters. It also included the determination of time to maximum rate under adiabatic conditions (TMR(ad)) and self-accelerating decomposition temperature obtained through Advanced Kinetics and Technology Solutions. The apparent activation energy (Ea) was calculated from differential isoconversional kinetic analysis method using differential scanning calorimetry experiments. The Ea value obtained by Friedman analysis is in the range of 118.0-149.0 kJ mol(-1). The TMR(ad) was 24.0 h with an apparent onset temperature of 82.4°C. This study has also established an efficient benchmark for a thermal hazard assessment of DBPH that can be applied to assure safer storage conditions.

Keywords: Apparent activation energy (E(a)); Differential isoconversional kinetic analysis; Runaway reaction; Self-accelerating decomposition temperature; Time to maximum rate under adiabatic conditions (TMR(ad)).