Kinetics-based simulation approach to evaluate thermal hazards of benzaldehyde oxime by DSC tests

To evaluate thermal hazards of benzaldehyde oxime (BO), dynamic experiments were carried out by differential scanning calorimeter (DSC) to obtain thermodynamic parameters. A kinetic model was evaluated by fitting experimental curves. Finally, thermal behaviors under isothermal, adiabatic and conditions of limited intensity of heat exchange were simulated. The results indicate that BO decomposes rapidly in liquid phase, and releases a large amount of thermal energy. The reaction model of full autocatalysis has been created comprising two parallel stages: initiation stage of the n-order type, and the autocatalytic stage. Contribution of the two stages are also presented. Simulation results demonstrate low stability of BO in liquid phase, it decomposes at low temperature right above melting and results in thermal explosion even for a small container. Estimation of time to maximum rate (TMRad) demonstrates the operational temperature should not be higher than 42 °C during production and usage.