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A Method of Computing/Determining the Arrhenius/non-Arrhenius Kinetic Parameters of the Exothermic Decomposition Reaction of Energetic Materials from Data of DSC Curves at Different Heating Rate
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(1. Science and Technology on Combustion and Explosion Laboratory, Xi′an Modern Chemistry Research Institute, Xi′an 710065, China; 2. College of Chemistry, Northwest University, Xi′an 710069,China; 3. Department of Mathematics/Institute of Data analysis and Computation Chemistry, Northwest University, Xi′an 710069, China; 4. College of Communication Science and Engineering, Northwest University, Xi′an 710069, China)

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    Abstract:

    A method of computing/determining the Arrhenius/non-Arrhenius kinetic parameters of the exothermic decomposition reaction of energetic materials (EMs) was presented from initial temperature (Te), peak temperature (Tp), conversion degree (αei or pi) at Tei or pi and data (βiTα,i, i=1, 2, …, L) corresponding to isoconversation degree (αi) for DSC curves under different constant heating rate (β) conditions. The Arrhenius/non-Arrhenius kinetic parameters of the exothermic decomposition reaction of sodium cis-bis(3-(5-nitro-1, 2, 4-triazolate tetrahydrate) [Na2(BNT)(H2O)4] were obtained by this method. The critical temperature of thermal explosion (Tb) of [Na2(BNT)(H2O)4] was calculated by the non-Arrhenius kinetic parameters obtained and compared with the value of Tb obtained by Arrhenius kinetic parameters. The validity and reliability of non-Arrhenius kinetic parameters of [Na2(BNT)(H2O)4] obtained in this work were verified.

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胡荣祖,马海霞,严彪,等.从不同升温速率下的DSC曲线数据计算/确定含能材料放热分解反应Arrhenius/非Arrhenius动力学参数的方法[J].含能材料,2013,21(2):180-193.
HU Rong-zu, MA Hai-xia, YAN Biao, et al. A Method of Computing/Determining the Arrhenius/non-Arrhenius Kinetic Parameters of the Exothermic Decomposition Reaction of Energetic Materials from Data of DSC Curves at Different Heating Rate[J]. Chinese Journal of Energetic Materials,2013,21(2):180-193.

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History
  • Received:January 28,2013
  • Revised:March 11,2013
  • Adopted:February 28,2013
  • Online: April 26,2013
  • Published: