Thermal behavior, non-isothermal decomposition reaction kinetics and thermal-safety evaluation on N-2,4-dinitrophenyl-3,3-dinitroazetidine under two different pressures

Abstract

As N-2′,4′-dinitrophenyl-3,3-dinitroazetidine (DNPDNAZ) is an important derivative of 3,3-dinitroazetidine, its thermal behavior was studied under 0.1 and 2 MPa by the differential scanning calorimetry (DSC) method. The results of this study show that there are one melting process and two exothermic decomposition processes. Its kinetic parameters of the intense exothermic decomposition process were obtained from the analysis of the DSC curves. The activation energy and the mechanism function under 0.1 MPa are 167.26 kJ mol⁻¹ and f(α) = 3(1 + α)^2/3[(1 + α)^1/3 − 1]⁻¹/2, respectively, and the said parameters under 2 MPa are 169.30 kJ mol⁻¹ and f(α) = 3(1 + α)^2/3[(1 + α)^1/3 − 1]⁻¹/2, respectively. The specific heat capacity of DNPDNAZ was determined using a continuous C _p mode of micro-calorimeter. Using the relationship between C _p and T with the thermal decomposition parameters, the time of the thermal decomposition from initialization to thermal explosion (adiabatic time-to-explosion, t _TIAD), the self-accelerating decomposition temperature (T _SADT ), thermal ignition temperature (T _TIT), critical temperatures of thermal explosion (T _b), and half-life (t _1/2) were obtained to evaluate its thermal safety under different pressures.