CHINESE JOURNAL OF ENERGETIC MATERIALS
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Derived Ways of the Rate Equations of Autocatalytic Reaction and Their Application in Thermal Behavior Study of Energetic Materials
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(1. Science and Technology on Combustion and Explosion Laboratory, Xi′an Modern Chemistry Research Institute, Xi′an 710065, China; 2. Department of Mathematics/Institute of data analysis and computation chemistry, Northwest University, Xi′an 710069, China; 3. College of Communication Science and Engineering, Northwest University, Xi′an 710069, China; 4. College of Chemical Engineering, Northwest University, Xi′an 710069, China)

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    Abstract:

    The derived ways of empiric-order autocatalytic reaction rate equation and its thirteen derived formulae were presented The equation of rate curve characteristics [αmax and (dα/dt)max] and the equation of change in reaction extent (α) with time (t) and temperature (T) describing the autocatalytic reaction were derived. The computer program of calculating the kinetic parameters (E, A or E1, A1, E2, A2) and empiric-order (m, n, p) of autocatalytic reaction and the values of αmax and (dα/dt)max was written. The rate equation describing the autocatalytic decomposition reaction of hexanitrohexaazaisowurtzitane (HNIW) and the kinetic parameters, catalytic coefficient Kcat, rate curve characteristic parameters and the equation of change in α with t describing the autocatalytic decomposition reaction of nitrocellulose (NC) (12.82%, 12.97%, 13.54%, 13.61%, 13.88%, 14.14% N) were presented.

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胡荣祖,姚二岗,张海,等.自催化反应速率方程的导出途径及其在含能材料热行为研究中的应用[J].含能材料,2015,23(9):818-830.
HU Rong-zu, YAO Er-gang, ZHANG Hai, et al. Derived Ways of the Rate Equations of Autocatalytic Reaction and Their Application in Thermal Behavior Study of Energetic Materials[J]. Chinese Journal of Energetic Materials,2015,23(9):818-830.

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History
  • Received:February 10,2015
  • Revised:March 16,2015
  • Adopted:March 11,2015
  • Online: July 21,2015
  • Published: August 28,2015