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用非等温DSC估算一些呋咱环化合物的热爆炸临界温度(英)
引用本文:胡荣祖,高红旭,赵凤起,张海,马海霞,徐抗震. 用非等温DSC估算一些呋咱环化合物的热爆炸临界温度(英)[J]. 含能材料, 2009, 17(6): 635-642. DOI: 10.3969/j.issn.1006-9941.2009.06.001
作者姓名:胡荣祖  高红旭  赵凤起  张海  马海霞  徐抗震
作者单位:1. 西安近代化学研究所,陕西西安710065;西北大学数学系/数据分析及计算化学研究所,陕西,西安,710069
2. 西安近代化学研究所,陕西西安,710065
3. 西北大学数学系/数据分析及计算化学研究所,陕西,西安,710069
4. 西北大学化工学院,陕西,西安,710069
基金项目:国家自然科学基金,Science and Technology Foundation of the National Defence Key Laboratory of Propellant and Explosive Combustion of China 
摘    要: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.

关 键 词:物理化学  呋咱环化合物  临界温度  热爆炸  非等温DSC
收稿时间:2009-05-07
修稿时间:2009-06-17

Estimation of Critical Temperature of Thermal Explosion for Some Furazano-fused Cyclic Compounds Using Non-isothermal DSC
HU Rong-zu,GAO Hong-xu,ZHAO Feng-qi,ZHANG Hai,MA Hai-xia and XU Kang-zhen. Estimation of Critical Temperature of Thermal Explosion for Some Furazano-fused Cyclic Compounds Using Non-isothermal DSC[J]. Chinese Journal of Energetic Materials, 2009, 17(6): 635-642. DOI: 10.3969/j.issn.1006-9941.2009.06.001
Authors:HU Rong-zu  GAO Hong-xu  ZHAO Feng-qi  ZHANG Hai  MA Hai-xia  XU Kang-zhen
Abstract: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.
Keywords:physical chemistry  furazano-fused cyclic compounds  critical temperature  thermal explosion  nonisothermal DSC
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