Thermochemical properties and non-isothermal decomposition reaction kinetics of 3,4-dinitrofurazanfuroxan (DNTF)

Abstract

The constant-volume combustion energy, Δ c U (DNTF, s, 298.15 K) and kinetic behavior of the exothermic decomposition reaction of the title compound (DNTF) are determined by a precise rotating bomb calorimeter and DSC, respectively. Its standard enthalpy of combustion, Δ c H m θ (DNTF, s, 298.15 K), standard enthalpy of formation, Δ c H m θ (DNTF, s, 298.15 K) and kinetic parameters of the major exothermic decomposition reaction in a temperature-programmed mode [the apparent activation energy ( E a) and pre-exponential factor ( A)] are calculated. The values of Δ c U (DNTF, s, 298.15 K), Δ c H m θ (DNTF, s, 298.15 K), and Δ c H m θ (DNTF, s, 298.15 K) of DNTF are −9733.96 ± 8.59 J g −1, −3018.29 ± 2.68 kJ mol −1, and 657.23 ± 2.70 kJ mol −1, respectively. The kinetic model function in integral form and the value of E a and A of the major exothermic decomposition reaction of DNTF are 1 − ( 1 − α ) 1 / 3 , 177.03 kJ mol −1 and 10 13.68 s −1, respectively. The critical temperature of thermal explosion of DNTF is 240.6 °C.