Study on Model-Free Thermal Decomposition Kinetics and Thermal Hazard of Cumene Hydroperoxide
ZHAO Qi1, WANG Xiaona1,2, YANG Suijun1,2, YANG Weihua3, YE Shuliang1,2
1. College of Metrology Measurement and Instrument, China Jiliang University, Hangzhou 310018, China;
2. Zhejiang Engineering Laboratory of Chemicals Safety Testing Technology and Instruments, Hangzhou 310018, China;
3. Hangzhou Young Instruments Technology Company Limited, Hangzhou 310000, China
Abstract：Cumene hydroperoxide (CHP) is widely used as an oxidant and initiator in organic synthesis. Studying its thermal hazard is crucial for optimizing the production process and assessing thermal runaway. Through calorimetric experiments, the heat release characteristics of the CHP thermal decomposition reaction were obtained. Then, the activation energy of the CHP reaction was calculated using a model-free nonlinear integral method, and the variation law of the activation energy with conversion was analyzed. Finally, a thermal kinetics prediction equation was constructed by combining the thermal balance model to predict the adiabatic reaction process of CHP. The results showed that the average specific heat release of CHP is 1 451.30 J/g, with a large decomposition heat release and high potential explosion hazard. The calculated activation energy varied significantly with the conversion, with an average reaction activation energy of 70.05 kJ/mol. The reaction mechanism was complex and the thermal decomposition reaction was prone to occur. Based on the adiabatic prediction results, an increase in the initial reaction temperature would shorten the time to reach the maximum reaction rate. The calculated reaction temperatures corresponding to the maximum reaction rate arrival times of 8 h and 24 h under adiabatic conditions were 70.88 ℃ and 53.13 ℃, respectively. During the production process, the operating temperature should be strictly controlled and emergency plans should be well prepared.
ZHAO Qi,WANG Xiaona,YANG Suijun et al. Study on Model-Free Thermal Decomposition Kinetics and Thermal Hazard of Cumene Hydroperoxide[J]. Chemical Reaction Engineering and Technology, 2025, 41(6): 648-655.
