CRCU

Chemical Research in Chinese Universities ›› 2010, Vol. 26 ›› Issue (3): 436-442.

• Articles • Previous Articles     Next Articles

Estimation of Critical Temperature of Thermal Explosion for Trinitromethyl Explosives by Non-isothermal DSC

ZHANG Hai1,4* HU Rong-zu1,2*, ZHAO Feng-qi2, GAO Hong-xu2 and MA Hai-xia3   

  1. 1. Department of Mathematics, Institute of Data Analysis and Computation Chemistry, Northwest University, Xi’an 710069, P. R. China;
    2. Xi’an Modern Chemistry Research Institute, Xi’an 710065, P. R. China;
    3. College of Chemical Engineering, Northwest University, Xi’an 710069, P. R. China;
    4. Institute of System and Information Science, Xi’an Jiaotong University, Xi’an 710049, P. R. China
  • Received:2009-06-04 Revised:2009-09-22 Online:2010-05-25 Published:2010-07-27
  • Contact: ZHANG Hai. E-mail: zhanghai@nwu.edu.cn; HU Rong-zu. E-mail: hurongzu@public.xa.sn.cn
  • Supported by:

    Supported by the National Natural Science Foundation of China(Nos.20573098, 50846021 and 69075036).

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Abstract:

Two general expressions and their six derived formulae for estimating the critical temperature(Tb) of thermal explosion for energetic materials(EMs) were derived from the Semenov’s thermal explosion theory and eight non-isothermal kinetic equations via reasonable hypothesis. We can easily obtain the values of the initial temperature(T0i) at which DSC curve deviates from the baseline of the non-isothermal DSC curve of EMs, the onset temperature(Tei), the exothermic decomposition reaction kinetic parameters and the values of T00 and Te0 from the equation T0i or ei=T00 or e0+α1βi+α2βi2+···+αL–2βiL–2, i=1, 2, ···, L and then calculate the values of Tb by means of the six derived formulae. The results obtained with the six derived calculating methods for six trinitromethyl explosives: bis(2,2,2- trinitroethyl-N-nitro) ethylene diamine(BTNEDA), 2,2,2-trinitroethyl-4,4,4-trinitrobutyrate(TNETB), bis(2,2,2-   trinitroethyl) formal(BNTF), bis(2,2,2-trinitroethyl-nitramine)(BTNNA), 2,2,2-trinitroethyl-2,2,2-trinitroethyl-N-  nitroamino acetate(TNTNNA) and tetrakis [2,2,2-trinitroethyl] orthoester(TTNOE) agree well with each other.

Key words: Trinitromethyl explosive; Critical temperature; Thermal explosion; Non-isothermal DSC