摘要
为寻找能量高、性能优良的含能离子盐,以3,4,5-三氨基-1,2,4-三唑、盐酸脒基脲为原料,合成并表征了3,4,5-三氨基-1,2,4-三唑及N-脒基脲的二硝基甲烷盐。结合实测密度和采用Gaussian 03计算得到的两种新离子盐的生成焓并得到了它们的爆轰性能数据,爆速分别为8 933m/s、8 035 m/s,爆压分别是36.6 GPa、28.4 GPa,结果表明这2种盐的爆炸性能与RDX相当。采用TG-DTG及DSC研究了2种盐的热行为和热分解反应动力学,计算了相关的热力学参数,活化熵(ΔS≠)、活化焓(ΔH≠)和活化自由能(ΔG≠)分别为3.60 J/(mol.K)、125.54 kJ/mol、123.96 kJ/mol.
3,4,5-triamino-1,2,4-triazolium and N-carbbamoylguanidinium dinitromethanide salts were synthesized and characterized by using N-guanylurea hydrochloride and 3,4,5-triamido-1,2,4-triazole as starting materials.The Gaussian 03 program was used to calculate the enthalpies of formation of the newly synthesized salts based on actually measured density,the calculated detonation velocities were 8 933 m/s and 8 035 m/s,and the detonation pressures were 36.6 GPa and 28.4 GPa.the results show that the explosion properties of the salts are comparable to RDX.Their thermal behaviors and non-isothermal decomposition reaction kinetics were investigated by thermogravimetry and derivative thermogravimetry（TG-DTG）.The calculated ΔS,ΔH and ΔG≠ were 3.60 J/（mol·K）,125.54 kJ/mol and 123.96 kJ/mol,respectively.
出处
《兵工学报》
EI
CAS
CSCD
北大核心
2012年第5期560-565,共6页
Acta Armamentarii
基金
高等学校博士点专项科研基金项目(20091101110033)
国家自然科学基金项目(21172020/B021101)
关键词
应用化学
含能离子盐
二硝基甲烷
爆轰性能
热行为
热分解反应动力学
applied chemistry
energetic salt
dinitromethane
detonation performance
thermal behavior
decomposition reaction kinetics
