Evaluating sadt by advanced kinetics-based simulation approach

Abstract

Present study depicts the extension of the method of the application of the advanced kinetic description of the energetic materials decomposition by its combination with the exact heat balance carried out by numerical analysis and the determination of the self-accelerating decomposition temperature (SADT). Moreover, the additional parameters such as thermal conductivity of the self-reactive substances, the type of containers and insulation layers, and different temperature profiles of the surrounding environment were taken into consideration.

The results of DSC experiments carried out with different heating rates in the range of 0.25–4°C min⁻¹ were elaborated by the Thermokinetics software. The application the Thermal Safety software and the kinetics-based approach led to proper selection of experimental conditions for SADT testing. The applied approach enabled the simulation of such scenario as the thermal ignition of self-reactive chemicals conditioned previously for 12 h at 80°C and exposed later isothermally for 8 h to temperatures between 120–180°C. Described method can be used for analysis of possible development of runaway during storage or transport of dangerous goods (TDG) and containers, and subsequent choice of the conditions that can prevent an accident.