Investigation of the decomposition kinetics and thermal hazards of 2,4-Dinitrotoluene on simulation approach

• Published in: Thermochimica acta Vol. 684; p. 178350
• Main Authors: Zhang, Jun, Wang, Shun-Yao, Ma, Ying-Ying, Chen, Li-Ping, Chen, Wang-Hua
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01.02.2020
• Subjects: 24-Dinitrotoluene; Multi-stage kinetic model; Non-isothermal and isothermal DSC; Thermal hazards; 24-Dinitrotoluene; Thermal hazards; Non-isothermal and isothermal DSC; Multi-stage kinetic model
• ISSN: 0040-6031; 1872-762X
• DOI: 10.1016/j.tca.2019.178350

•Experiments verified the decomposition of 2,4-DNT consists of two consecutive reactions.•The decomposition kinetic model of “Autocatalytic + n-order reaction stage” has been created and verified.•Thermal hazard parameters have been calculated based on the proper kinetic model.•Thermal runaway behavior under adiabatic and external fire conditions have been simulated. As a major intermediate in the synthesis of explosives, the destructive nature and thermal hazards of 2,4-DNT are enormous. To evaluate the potential thermal hazards for its decomposition, the differential scanning calorimeter (DSC) experiments under non-isothermal and isothermal conditions were performed to determine the decomposition kinetic model and parameters. According to the dynamic DSC results, 2,4-DNT underwent a melting process before thermal decomposition, the endothermic peak and exothermic peak are identified at about 67–70 ℃ and 245–272 ℃, respectively. Combined with the results of non-isothermal and isothermal tests, the proper decomposition kinetic model of 2,4-DNT consists of two consecutive reactions has been created and verified. Thermal behaviors under different scenarios and thermal explosion have been simulated separately to predict the thermal hazard parameters. It can also be concluded from the simulation under external fire exposure scenario, with increasing of the filling ratios for sample, the induction period of the exothermic decomposition reaction is also continuously shortened, accompanied by greater danger.