火炸药学报2017，Vol.40Issue(1)：53-58,6.DOI:10.14077/j.issn.1007-7812.2017.01.011
Fe3+掺杂对硝酸羟胺热稳定性的影响及其机理
Effects of Doping of Fe3+ on the Thermal Stability of Hydroxylamine Nitrate and Its Mechanism
刘建国 1安振涛 1张倩 2李天鹏 1卞立新 2李赫1
作者信息
- 1. 军械工程学院弹药工程系,河北 石家庄 050003
- 2. 军械工程学院弹药保障与安全性评估军队重点实验室,河北 石家庄050003
- 折叠
摘要
Abstract
To investigate the effect of doping of Fe3+ on the thermal stability of hydroxylamine nitrate(HAN), the thermal analysis of HAN aqueous solution with and without Fe3+ doped was carried out at heating rates of 3,4 and 5K/min.With the help of parameter values from the non-isothermal DSC curves, the kinetic parameters of the thermal decomposition reaction were obtained by Kissinger′s method and Ozawa′s method.Density functional theoretical method was used to study the influence mechanism.The optimized geometries of NH2OH and coordination compound Fe(NH2OH)3+6 formed by NH2OH and Fe3+ were obtained.The bond length of N-H and O-H,Wiberg bond order and molecular frontier orbital distribution were calculated.The results show that Fe3+ doping makes the thermal stability of HAN decrease and the initial decomposition temperature decrease by 16℃,the activation energy increase and pre-exponential factor increase greatly, and the reaction rate of thermal decomposition increase.After coordination compound Fe(NH2OH)3+6 formed by NH2OH and Fe3+, the bond length of N-H and O-H increases, the stretching frequency, Wiberg bond order and electron cloud density around bonds decrease.The bond strength decreases, which lead to the acceleration of the thermal decomposition of HAN.关键词
物理化学/硝酸羟胺/HAN/Fe3+/热稳定性/机理Key words
physical chemistry/hydroxylamine nitrate/HAN/Fe3+/thermal safety/mechanism分类
军事科技引用本文复制引用
刘建国,安振涛,张倩,李天鹏,卞立新,李赫..Fe3+掺杂对硝酸羟胺热稳定性的影响及其机理[J].火炸药学报,2017,40(1):53-58,6.
