Specific heat capacity, thermodynamic properties, adiabatic time-to-explosion and thermal sensitivity probability density distribution of 3,4-dinitrofurazanfuroxan(DNTF)

3, 4-Dinitrofurazanfuroxan(DNTF) is a novel energy density material and possesses a high energy, low melting point, good thermal stability and moderate sensitivity. It can be used in solid rocket propellant, warhead and explosive net with a broad prospect of applications. The specific heat capacity of DNTF was determined with the continuous c_p mode of mircocalorimeter (Micro-DSC HI). The equation of c_p to temperature is c_p = 0.31064 + 2.109 × 10^-3T (285 K < T < 345 K). The standard mole specific heat capacity of DNTF was 293. 10 J/(mol · K) at 298.15 K. Furthermore, specific heat capacity of DNTF were calculated by DFT-RB3LYP/6-31 +G(d) method in Gaussian 98W package and using the above determination result of specific heat capacity. The thermodynamic functions of DNTF, relative to the standard temperature 298. 15 K, were calculated through thermodynamic relationship and the adiabatic time-to-explosion (t_TIad) was also obtained. The t_TIad of DNTF is 103.7 s. The thermal sensitivity probability density distribution function of energetic materials was deducted and thermal sensitivity probability density distribution curve of DNTF was constructed.