四(3-硝基-1,2,4-三唑基)硼酸钾的合成及性能表征

Synthesis and Characterization of Potassium Tetrakis(3-Nitro-1,2,4-Triazolyl)Borate

以硼氢化钾和3-硝基-1,2,4-三唑为原料,经过配位取代反应合成了一种新的含硼高能化合物四(3-硝基-1,2,4-三唑基)硼酸钾,并利用红外光谱、X射线衍射(XRD)、X射线能谱分析(EDS)、扫描电镜(SEM)及X射线光电子能谱分析(XPS)对四(3-硝基-1,2,4-三唑基)硼酸钾的结构、形貌进行了表征.结果表明,四(3-硝基-1,2,4-三唑基)硼酸钾的形貌为无定型絮状,具有含硼含能材料的结构特点.采用差示扫描量热法(DSC)、氧弹量热法和热力学定律研究四(3-硝基-1,2,4-三唑基)硼酸钾的热性能并计算其热分解动力学参数.结果显示,在DSC曲线中只有一个分解放热峰,峰温为338.7℃,表明其拥有良好的热稳定性;活化能E=228.24 kJ·mol^(-1),指前因子A=1.98×10^(10) min^(-1),标准生成焓为1841.61 kJ·mol^(-1).运用EXPLO5(V6.02)程序预测其密度为1.8725 g·cm^(-3),爆速为8042 m·s^(-1),爆压为36.4 GPa,比冲为2843.2 N·s·kg^(-1).

Using potassium borohydride and 3-nitro-1,2,4-triazole as raw materials,a new boron-containing high-energy compound,potassium tetrakis(3-nitro-1,2,4-triazolyl)borate was synthesized through substitution reaction.Its structure and morphology were characterized by infrared spectroscopy,X-ray energy spectroscopy(EDS),X-ray photoelectron spectroscopy(XPS),etc.The results show that the morphology of potassium tetrakis(3-nitro-1,2,4-triazolyl)borate is amorphous flocculent,with the structural characteristics of boron-containing energetic materials.Using differential scanning calorimetry(DSC),oxygen bomb calorimetry and the law of thermodynamics to study its thermal properties and calculate its thermal decomposition kinetic parameters,the results show that there is only one decomposition heat peak in the DSC curve with a peak temperature of 338.7℃,indicating that it has good thermal stability.The average value of its activation energy E is 228.24 kJ·mol^(-1),and the pre-exponential factor A is 1.98×10^(10) min^(-1),and the calculated standard enthalpy of formation of potassium tetrakis(3-nitro-1,2,4-triazolyl)borate is 1841.61 kJ·mol^(-1).Using the EXPLO5(V6.02)program,the density is predicted to be 1.8725 g·cm^(-3),the detonation velocity is 8042 m·s^(-1),the detonation pressure is 36.4 GPa,and the specific impulse is 2843.2 N·s·kg^(-1).