二硝基甲烷含能离子盐的合成与性能及其热动力学分析

为寻找能量高、性能优良的含能离子盐，以3为寻找能量高、性能优良的含能离子盐，以345-三氨基-124-三唑、盐酸脒基脲为原料，合成并表征了345-三氨基-124-三唑及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8 933 m/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.

Synthesis and Property of Energetic Dinitromethanide Salts and Their Thermal Decomposition Reaction Kinetics

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.