1-氨基-1,2,3-三唑硝酸盐的热分解动力学(英文)

Thermal Decomposition Reaction Kinetics of 1-Amino-1,2,3-triazolium Nitrate

在2、5、10、15和20℃·min-1线性升温条件下,用非等温TG-DTG技术分析了1-氨基-1,2,3-三唑硝酸盐((ATZ)(NO3))的热分解过程,研究了其热分解反应动力学,并提出热分解反应机理。结果表明,(ATZ)(NO3)的热分解过程可分为两个失重阶段。动力学3因子(表观活化能E、指前因子A和机理函数)可通过3步最终确定。首先,用两种model-free方法(Kissinger法和Ozawa法)得到表观活化能E和指前因子A;然后用两种model-fitting方法(atava-esták法和Achar法)得到几种可能的分解机理函数;最后通过3种验证方法(atava法、双因子外推法和Popescu法)得到唯一的分解机理函数。(ATZ)(NO3)热分解两阶段的反应机理均为随机成核和随后生长模型,反应级数分别为n=3/2和n=1/3,m=3。(ATZ)(NO3)热分解两阶段的动力学方程分别为:dαdt=1013.60×e-128970RT(1-α)[-ln(1-α)]-12和dαdt=1011.40×e-117370RT(1-α)[-ln(1-α)]2/3。两阶段动力学补偿效应的数学表达式分别为:lgA=0.1213E-1.894和lgA=0.1149E-2.5426。

The thermal decomposition kinetics of 1 amino-1,2,3-triazolium nitrate [（ATZ） （NO3）] was investigated by non-isothermal TG-DTG at various heating rates （2,5,10,15,and 20℃ · min-1）.The result showed that the thermal decomposition of （ATZ）（NO3） consisted of two mass-loss stages.Kinetic triplets of the two stages were described by a three-step method.First,the Kissinger and Ozawa methods were used to calculate the apparent activation energies （E） and pre-exponential factors （A） of the two decomposition stages.Second,two calculation methods （（S）atava-（S）esták and Achar methods） were used to obtain several probable decomposition mechanism functions.Third,three judgment methods （（S）atava,double-extrapolation,and Popescu methods）were used to confirm the most probable decomposition mechanism functions.Reaction models of the two stages both are random-into-nuclear and random-growth mechanisms with n=3/2 for the first stage and n=1/3,m=3 for the second stage.The kinetic eda 128970 1quations for the two decomposition stages of （ATZ） （NO3） may be expressed as dα/dt =1013.60 × e-128970/RT （1-α） [-ln （1-α）]-1/2 and dα/dt=1011.40 ×e-117370/RT （1-α）[-ln（1-α）]2/3.Mathematical expressions for the kinetic compensation effect were derived as A=0.1213E-1.8946 and lgA=0.1149E-2.5426.