Synthesis, molecular structure, non-isothermal decomposition kinetics and adiabatic time to explosion of 3,3-dinitroazetidinium 3,5-dinitrosalicylate

Abstract

The title compound 3,3-dinitroazetidinium (DNAZ) 3,5-dinitrosalicylate (3,5-DNSA) was prepared and the crystal structure has been determined by a four-circle X-ray diffractometer. The thermal behavior of the title compound was studied under a non-isothermal condition by DSC and TG/DTG techniques. The kinetic parameters were obtained from analysis of the TG curves by Kissinger method, Ozawa method, the differential method and the integral method. The kinetic model function in differential form and the value of E _a and A of the decomposition reaction of the title compound are f(α)=4α^3/4, 130.83 kJ mol⁻¹ and 10_13.80s⁻¹, respectively. The critical temperature of thermal explosion of the title compound is 147.55 °C. The values of ΔS ^≠, ΔH ^≠ and ΔG ^≠ of this reaction are −1.35 J mol⁻¹ K₋₁, 122.42 and 122.97 kJ mol⁻¹, respectively. The specific heat capacity of the title compound was determined with a continuous C _p mode of mircocalorimeter. Using the relationship between C _p and T and the thermal decomposition parameters, the time of the thermal decomposition from initiation to thermal explosion (adiabatic time-to-explosion) was obtained.