从恒速升温速率下的DSC曲线峰温计算含能材料放热分解反应动力学参数的理论和数值方法（英）

根据Kooij公式和van't Hoff公式,从恒速升温速率下的DSC曲线峰温导出了计算含能材料放热分解反应动力学参数的两个数学表达式,提出了计算相应动力学参数的数值方法.对1,3,5-三硝基-1,3,5-三氮杂环己酮-2(Keto-RDX),由导出的两个表达式、Kissinger法、Ozawa法、Tang法、Hu-Gao-Zhang法、非线性等转化率积分法(NL-INT)所得的活化能E值彼此接近,表明Kooij's公式中的a值取0.5,van't Hoff公式的b值取0.003,可得到合理的动力学参数.

Theory and Numerical Method of Calculating the Kinetic Parameters of Exothermic Decomposition Reaction of Energetic Materials from Peak Temperature of DSC Curves at Constant Heating Rates

Two mathematical expressions for calculating the kinetic parameters of exothermic decomposition reaction of energetic materials(EMs)are derived from peak temperature of DSC curves at constant heating rates based on Kooij's formula and van't Hoff's formula,the corresponding numerical method for calculating the kinetic parameters are presented.The E results obtained with the two derived formulae and Kissinger's method, Ozawa's method,Tang's method,Hu-Gao-Zhang method and integral isoconversional non-linear method(NL-INT)for 2,4,6-trinitro-2,4,6-triazacyclohex-anone(Keto-RDX),approximate well to each other,showing that taking the value of a of 0.5 and the value of 6 of 0.003 are suitable for calculating the kinetic parameters by the two derived formulae.