TNT/TNCB共晶炸药的制备及表征

Preparation and Characterization of TNT/TNCB Cocrystal Explosive

采用溶液共结晶法制得2,4,6-三硝基甲苯/2,4,6-三硝基氯苯(TNT/TNCB)共晶炸药,采用X射线单晶衍射表征了其结构,该晶体属于单斜晶系,P21/c空间群,晶胞参数:a=2.1148(5)nm,b=0.60974(14)nm,c=1.4968(4)nm,α=90°,β=110.374(4)°,γ=90°,V=1.8093(7)nm3,Z=4。采用差示扫描量热法分析了共晶炸药的热性能,并测定了其撞击感度,结果表明,该共晶炸药熔点为72.7℃,H_(50)=92.9 cm,均低于TNT与TNCB。运用密度泛函理论方法及Kamlet-Jacobs方程计算得到TNT/TNCB共晶炸药的爆速为7508 m/s,爆压为24.52 GPa。

2,4,6-trinitrotoluene/2,4,6-trinitrochlorobenzene （ TNT/TNCB ） cocrystal explosive was prepared by cocrystallization in solution, and its crystal structure was characterized by single crystal X-ray. Results show that the crystal crystallizes is in monoclinic system, space group P21/c with crystal parameters of a=2.1148（5） nm, b=0.60974（14） nm, c=1.4968（4） nm, α= 90°, β=110.374（4）°, γ =90°, V=1.8093（7） nm3, Z=4. The thermal property and impact sensitivity of the product were measured by differential scanning calorimetry and sensitivity test, respectively. Results reveal that the melting point of TNT/TNCB cocrystal explosive is 72.7 ℃ and the H50 of the cocrystal is 92.9 cm, which are lower than those of TNT and TNCB. Furthermore, the detonation velocity and pressure of TNT/TNCB cocrystal explosive were also calculated to be 7508 m · s-1 and 24.52 GPa by density functional theory（ DFT） and Kamlet-lacobs eouation.