TNAE的合成和热分解动力学

Synthesis and Thermal Decomposition Kinetics of TNAE

以尿素和乙二醛为原料,经缩合、硝化和水解反应合成了含能化合物TNAE。用差示扫描量热法(DSC)研究了TNAE的热行为,测定了TNAE在不同升温速率(5、10、15、20和25K/min)下的分解峰温。用Kissinger和Ozawa方法计算了TNAE放热分解反应的表观活化能(Ek和Eo)和指前因子(A),用热力学方程计算了TNAE放热分解反应的的活化焓(△H≠)、活化熵(△S≠)和活化吉布斯自由能(△G≠)。结果表明,TNAE对热不稳定,△H≠、△S≠和△G≠值分别为147.93kJ/mol、54.52J/(K·mol)、125.86kJ/mol。

TNAE was synthesized via condensation,nitration and hydrolysis using urea and glyoxal as primary materials.The thermal behavior of TNAE was studied by differential scanning calorimetry(DSC)and the peak temperatures at different heating rates(5,10,15,20,25K/min)was determined.The apparent activation energy(Ek and E0)and pre-exponential constant of the exothermic decomposition reaction were calculated by Kissinger and Ozawa methods.The activation entropy(△H≠),activation enthalpy(△S≠)and activation Gibbs free energy(△G≠)for the exothermic decomposition reaction of TNAE were calculated according to thermodynamic equations.The results indicate that TNAE is unstable to heat.The values of△H≠,△S≠and△G≠are 147.93(kJ/mol),54.52J/(K·mol)and 125.86kJ/mol,respectively.