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Abstract: The thermal behavior of 4-amino-1,2,4-triazol-5-one (ATO) was studied under non-isothermal condition by DSC method in a sealed cell of stainless steel. The melting enthalpy and melting entropy of ATO are 21.34±0.49kJmol−1 and 46.54±0.30Jmol−1 K−1, respectively. The kinetic parameters were obtained from the analysis of DSC curves by Kissinger method, Ozawa method, the differential method and the integral method. The main exothermic decomposition reaction mechanism of ATO is classified as nucleation and growth, and the kinetic parameters of the reaction are E a = 119.50kJmol−1 and A =109.03 s−1. The gas products and condensed phase products of the thermal decomposition of ATO were studied on two simultaneous devices of the fast thermolysis reaction cell (gas reaction cell) in situ in conjunction with rapid scan transform infrared spectroscopy (RSFT-IR) and the solid reaction cell in situ. The heat of formation (HOF) for ATO was evaluated by G3 theory. The detonation velocity (D) and detonation pressure (P) were estimated by using the well-known Kamlet–Jacobs equation, based on the theoretical HOF and the determined crystal density. [Copyright &y& Elsevier]

Highlights: [•] The E a and A of DNPDNAZ were 172.26kJ·mol−1 and 1013.15 s−1 respectively. [•] The Cp,m of DNPDNAZ was determined with a continuous Cp mode of micro-calorimeter and theoretical calculation. [•] It is reasonable for equation of GT − G 298.15K to added −(T −298.15) S 298.15K. [•] The calculated detonation velocity and pressure of DNPDNAZ are 7364.42m·s−1 and 23.75GPa, respectively. [•] DNPDNAZ and TNAZ are almost stable under light and the former is more sensitive than the latter. [ABSTRACT FROM AUTHOR]

Abstract: The thermal decomposition behaviors of 3,4,5-triamino-1,2,4-triazole nitrate were studied using a C-500 type Calvet Micro-calorimeter at four different heating rates. Its apparent activation energy and pre-exponential factor of exothermic decomposition reaction are 137.16kJmol−1 and 1010.03 s−1. The critical temperature of thermal explosion is 441.37K. The entropy of activation (ΔS ≠ ), enthalpy of activation (ΔH ≠ ), and free energy of activation (ΔG ≠ ) of the decomposition reaction are −65.65Jmol−1 K−1, 132.97kJmol−1 and 166.35kJmol−1, respectively. The self-accelerating decomposition temperature (T SADT) is 429.56K. The specific heat capacity was determined with a Micro-DSC method and a theoretical calculation method. Specific heat capacity (Jg−1 K−1) equation is C p =0.356+2.957×10−3 T (283.1K< T <353.2K). The adiabatic time-to-explosion is calculated to be a certain value between 702.22s and 712.22s. The critical temperature of Hot-Spot initiation is 600.325°C, and the characteristic drop height of impact sensitivity (H 50) is 27cm. [Copyright &y& Elsevier]

The thermal behavior of 1,3,3-trinitroazetidine (TNAZ) is studied by means of high-pressure DSC (PDSC), the combination technique of in situ thermolysis cell with rapid-scan fourier transform infrared spectroscopy (thermolysis/RSFT-IR) and fast thermolysis probe with rapid-scan fourier transform infrared spectroscopy (fast thermolysis/RSFT-IR). The thermal decomposition mechanism is proposed. The results show that the decomposition temperature of TNAZ at 1MPa is 264.7 °C, both the C—NO2 and N—NO2 bonds and all the other C—N, C—C and C—H bonds of the four-membered ring of TNAZ are simultaneously broken with an increase in temperature and the gas products detected of thermal decomposition of TNAZ consist of CO2, NO2, N2O and NO. [Copyright &y& Elsevier]