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Specific Heat Capacity, Thermodynamic Properties, Adiabatic Time-to-Explosion and Thermal Sensitivity Probability Density Distribution of 3,4-dinitrofurazanfuroxan(DNTF)

GAO Hong-Xu1, ZHAO Feng-Qi1*, HU Rong-Zu1, XU Kang-Zhen2, ZHANG Hai3, WANG Peng4, DU Zhi-Ming4, XU Si-Yu1, YI Jian-Hua1, MA Hai-Xia2, CHANG Chun-Ran2, SONG Ji-Rong2,5   

    1. Xi’an Modern Chemistry Institute, Xi’an 710065, China;
    2. College of Chemical Engineering, Shaanxi Key Laboratory of Physico-Inorganic Chemistry,
    3. Department of Mathematics, Northwest University, Xi’an 710069, China;
    4. State Key Laboratory of Explosion Science and Technology, Beijing Institue of Technology, Beijing 100081, China;
    5. Conservation Technology Department, the Palace Museum, Beijing 100009, China
  • Received:2007-09-13 Revised:1900-01-01 Online:2008-05-10 Published:2008-05-10
  • Contact: ZHAO Feng-Qi

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Abstract: 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 cp mode of mircocalorimeter (Micro-DSCⅢ). The equation of cp to temperature is cp＝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(tTIad) was also obtained. The tTIad 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.

Key words: 3,4-Dinitrofurazanfuroxan(DNTF), Specific heat capacity, Thermodynamic property, Adiabatic time-to-explosion, Thermal sensitivity probability density distribution

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