Exothermic reactions in TATB initiated by an electron beam

Abstract

Experiments were performed in which confined samples of TATB were initiated by uniform and rapid energy deposition via a penetrating electron beam. The temperature and pressure were obtained in the exothermic region with a resolution of about 2 ms. Information on reaction kinetics was obtained to very high temperatures (≳1000 °C) and pressures (≳ 3000 psi). The absence of thermal gradients greatly simplifies the analysis. Values were obtained for the thermal initiation threshold, the explosion temperature, and kinetic parameters for a consistent reaction below 380 °C. An observed endothermic reaction near 390 °C was shown to be due to an impurity. Non-Arrhenius behavior was observed at higher temperatures. A very fast rise in the reaction rate just above 400 °C is followed by a rapid fall off from extrapolated values at higher temperatures.

Molecular Theory of Detonation Initiation: Insight from First Principles Modeling of the Decomposition Mechanisms of Organic Nitro Energetic Materials

“…In general, the calculated here energy of the C-NO 2 bond scission (65–71 kcal/mol, Table 1) and the activation barrier of the CONO rearrangement (58 kcal/mol, Table 1) are in good agreement with the range of experimentally measured activation energies 59–68 kcal/mol [128,129].…”

“…TATB (Figure 11) is the benchmark high density energy material that is characterized by the lowest achieved sensitivity against impact (h 50% > 320 cm) [127] and against thermal decomposition (E a = 59–68 kcal/mol) [128,129]. There are several theoretical studies reporting the energies of activation barriers for the C-NO 2 bond scission (64–77 kcal/mol) [44,130,131,132] and CONO isomerization (55 kcal/mol) [124].…”

Preparation and thermal studies on tetranitrodibenzo tetraazapentalene (TACOT): A thermally stable high explosive

“…The order parameter (n) of 2 was computed based on the correlation coefficient value r (r = 0.9886). The activation energies computed by Arrhenius equation was found to be 213 kJ/mol (Table 3), which falls in the range of the reported values, scattered between 167 and 251 kJ/mol [15][16][17].…”

5‐Amino‐3,4‐dinitropyrazole as a Promising Energetic Material

“…Note that these kinetic parameters exceed the values usually measured for decomposition of explosives (i.e., 150–190 kJ mol −1 ). However, for other energetic compounds with strong hydrogen bonding the reported activation energies are also high: 247 kJ mol −1 and 259 kJ mol −1 for triaminotrinitrobenzene (TATB), and 238 kJ mol −1 for the first decomposition step of diaminodinitroethylene (FOX‐7) . The obtained kinetic parameters for 5‐ADP are close to those of FOX‐7 and TATB, probably due to considerable energy necessary for the rupture of hydrogen bonds.…”