Nonisothermal decomposition and safety parameters of HNIW/TNT cocrystal

作者：Zhang, Jiao-Qiang^*; Xu, Yun-Long; Jia, Qian; Zhang, Shi-Jie; Liu, Ning; Gao, Hong-Xu; Hu, Rong-Zu

来源：RSC Advances, 2018, 8(54): 31028-31036.

DOI：10.1039/c8ra06143b

• GOOD COMPREHENSIVE PROPERTIES
• REACTIVE MOLECULAR-DYNAMICS
• ENERGETIC MATERIALS
• DETONATION PROPERTIES
• KINETIC-PARAMETERS
• HIGH-DENSITY
• CO-CRYSTAL
• EXPLOSIVES
• SENSITIVITY
• MECHANISM

To explore the thermal decomposition behavior and evaluate the thermal safety of the cocrystal 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane (HNIW)/2,4,6-trinitrotoluene (TNT), its thermal and kinetic behaviors were studied by differential scanning calorimetry (DSC) technique. With the help of onset temperature (T-e) and maximum peak temperature (T-p) from the non-isothermal DSC curves of HNIW/TNT cocrystal at different heating rates (), the following were calculated: the value of specific heat capacity (C-p) and the standard molar enthalpy of formation the apparent activation energy (E-K and E-O) and pre-exponential constant (A(K)) of thermal decomposition reaction obtained by Kissinger's method and Ozawa's method, density () and thermal conductivity (), the decomposition heat (Q(d), as half-explosion heat), Zhang-Hu-Xie-Li's formula, Smith's equation, Friedman's formula, Bruckman-Guillet's formula, Frank-Kamenetskii's formula and Wang-Du's formulas, the values (T-e0 and T-p0) of T-e and T-p corresponding to 0, thermal explosion temperature (T-be and T-bp), adiabatic time-to-explosion (t(tiad)), 50% drop height (H-50) for impact sensitivity, critical temperature of hot-spot initiation (T-cr), thermal sensitivity probability density function [S(T)] vs. temperature (T) relation curves with radius of 1 m and ambient temperature of 300 K, the peak temperature corresponding to the maximum value of S(T) vs. T relation curve (T-S(T)max), safety degree (SD) and critical ambient temperature (T-acr) of thermal explosion. Results show that the kinetic equation describing the exothermic decomposition reaction of HNIW/TNT cocrystal iS The following thermal safety parameters for the HNIW/TNT cocrystal are obtained: T-e0 = 464.45 K; T-p0 = 477.55 K; T-be = 472.82 K; T-bp = 485.89 K; t(tiad) = 4.40 s, 4.42 s, and 4.43 s for n = 0, 1, and 2, respectively; T-cr = 531.90 K; H-50 = 19.46 cm; and the values of T-acr, T-S(T)max, SD and P-TE are 469.69 K, 470.58 K, 78.57% and 21.43% for sphere; 465.70 K, 470.58 K, 78.17% and 21.83% for infinite cylinder; and 459.39 K, 464.26 K, 77.54% and 22.46% for infinite flat.

• 出版日期2018
• 单位西安近代化学研究所; 西北工业大学