用非等温DSC估算一些呋咱环化合物的热爆炸临界温度（英）

通过合理假设,从谢苗诺夫(Semenov)热爆炸理论和8个非等温动力学方程,导出了估算含能材料(EMs)热爆炸临界温度(T_b)的2个通式和它们的6个派生式.从EMs的非等温DSC曲线可获得DSC曲线偏离基线的起始温度(T_0)、onset温度(T_(ei))和放热分解反应的动力学参数.由方程T_(0i or ei)=T_(oo or e0)α_1β_i+α_2β_i~2+…α_(L-2)+β_i~(L-2),i=1,2,…,L可得到T_(oo)和T_(e0)值,随后用6个派生式可计算T_B值.对1,4,5,8-四硝基-1,4,5,8-四氮杂双呋咱[3,4-c:3',4'-h]十氢化萘,1,4,5,8-四氮杂双呋咱[3,4-c:3',4'-h]十氢化萘,1,3,4-三硝基咪唑烷酮[4,5-b]呋咱[3,4-e]哌嗪,咪唑烷酮[4,5-b]呋咱[3,4-e]哌嗪,1,3,4,8-四硝基咪唑烷酮[4,5-b]呋咱[3,4-e]哌嗪,1,4,5,8-四硝基-1,4,5,8-四氮杂萘呋咱[3,4-b]十氢化萘,1,3,5-三硝基-1,3,5-三氮杂呋咱[3,4-f]环庚烷,由6个派生式所得的T_b值甚接近.

Estimation of Critical Temperature of Thermal Explosion for Some Furazano-fused Cyclic Compounds Using Non-isothermal DSC

Two general expressions and their six derived formulae for estimating the critical temperature(T_b)of thermal explosion for energetic materials(EMs)are derived from the Semenov's thermal explosion theory and eight non-isothermal kinetic equations,using reasonable hypothesis.The initial temperature(T_(oi))at which DSC curve deviates from the baseline,the onset temperature(T_(ei)),the kinetic parameters of exothermic decomposition reaction can be obtained from the non-isothermal DSC curve of EMs.The values of T_(oo)and T_(e0)was obtained from the equation T_(0i or ei)=T_(oo or eo)α_1β_i+α_2β_i~2+…α_(L-2)+β_i~(L-2),i=1,2,…,L and then the values of T_b was calculated by the six derived formulae.The T_b results obtained with the six derived formulae for 1,4,5,8-tertanitro-l,4,5,8-tetraazadifurazano[3,4-c:3',4'-h] decalin and its parent compound,1,3,4-trinitro-imidazolonone[4,5-6] furazano[3,4-e] piperazine and its parent compound,1,3,4,8-tetranitro-imidazolinone[4,5-b] furazano[3,4-e] piperazine,1,4,5,8-tetranitro-1,4,5,8-tetrazafurazano[3,4-b] decalin and 1,3,5-trinitro-l,3,5-triazafurazano[3,4-f] cycloheptane approximate well to each other.