Thermochemical properties and thermokinetic behavior of energetic triazole ionic salts  

作　　者：ZHAO FengQi XUE Liang XING XiaoLing HU RongZu ZHOU ZhiMing GAO HongXu YI JianHua XU SiYu PEI Qing 

机构地区：[1]National Key Lab of Science and Technology on Combustion and Explosion, Xi'an Modern Chemistry Research Institute, Xi'an 710065, China [2]School of Chemistry and Materials Science, Shaanxi Normal University, Xi'an 710062. China [3]School of Chemical Engineering and Environment, Beijing Institute of Technology, Beijing 100081, China

出　　处：《Science China Chemistry》2011年第3期461-474,共14页中国科学（化学英文版）

基　　金：supported by the National Natural Science Foundation of China (20573098);the Science and Technology Foundation of National Key Lab of Science and Technology on Combustion and Explosion in China (9140C3503030805)

摘　　要：The properties of dissolution in different solvents,the specific heat capacity and thermal decomposition process under the non-isothermal conditions for energetic triazole ionic salts 1,2,4-triazolium nitrate(1a),1,2,3-triazolium nitrate(1b),3,4,5triamino-1,2,4-triazolium nitrate(2a),3,4,5-triamino-1,2,4-triazolium dinitramide(2b)were precisely measured using a Calvet Microcalorimeter.The thermochemical equation,differential enthalpies of dissolution(△difH m ),standard molar enthalpies of dissolution(△difH m ),apparent activation energy(E),pre-exponential constant(A),kinetic equation,linear relationship of specific heat capacity with temperature over the temperature range from 283 to 353 K,standard molar heat capacity(C p,m)and enthalpy,entropy and Gibbs free energy at 283–353 K,taking 298.15 K as the benchmark for 1a,1b,2a and 2b were obtained with treating experimental data and theoretical calculation method.The kinetic and thermodynamic parameters of thermal decomposition reaction,critical temperature of thermal explosion(Tb),self-accelerating decomposition temperature(TSADT)and adiabatic time-to-explosion(t)of 1a,1b,2a and 2b were calculated.Their heat-resistance abilities were evaluated.Information was obtained on the relation between molecular structures and properties of 1a,1b,2a and 2b.The properties of dissolution in different solvents,the specific heat capacity and thermal decomposition process under the non-isothermal conditions for energetic triazole ionic salts 1,2,4-triazolium nitrate（1a）,1,2,3-triazolium nitrate（1b）,3,4,5triamino-1,2,4-triazolium nitrate（2a）,3,4,5-triamino-1,2,4-triazolium dinitramide（2b）were precisely measured using a Calvet Microcalorimeter.The thermochemical equation,differential enthalpies of dissolution（△difH m ）,standard molar enthalpies of dissolution（△difH m ）,apparent activation energy（E）,pre-exponential constant（A）,kinetic equation,linear relationship of specific heat capacity with temperature over the temperature range from 283 to 353 K,standard molar heat capacity（C p,m）and enthalpy,entropy and Gibbs free energy at 283–353 K,taking 298.15 K as the benchmark for 1a,1b,2a and 2b were obtained with treating experimental data and theoretical calculation method.The kinetic and thermodynamic parameters of thermal decomposition reaction,critical temperature of thermal explosion（Tb）,self-accelerating decomposition temperature（TSADT）and adiabatic time-to-explosion（t）of 1a,1b,2a and 2b were calculated.Their heat-resistance abilities were evaluated.Information was obtained on the relation between molecular structures and properties of 1a,1b,2a and 2b.

关 键 词：energetic triazole ionic salts thermochemical properties thermokinetic behavior thermal safety 

分 类 号：O322[理学—一般力学与力学基础] S63[理学—力学]