一种新型CL-20/TKX-50共晶炸药的制备、表征和性能研究

Preparation,Characterization and Properties of A New CL-20/TKX-50 Cocrystal Explosive

为降低六硝基六氮杂异伍兹烷(CL-20)的感度,通过溶剂-非溶剂法制备了CL-20和1,1′-二羟基-5,5′-联四唑二羟胺盐(TKX-50)共晶炸药;通过Materials Studio 5.0软件分析了CL-20和TKX-50分子的表面静电势,并预测了共晶分子间可能的非共价键作用;采用扫描电镜(SEM)、X射线衍射(XRD)、红外(IR)和拉曼光谱(Raman)对其形貌和结构进行了表征;采用DSC测试了其热性能,并测试了其撞击感度,预测了其爆轰性能。结果表明,制备的CL-20/TKX-50共晶呈扁平的片状形貌;XRD、IR和Raman谱图中出现峰的生成、消失、偏移和强度的改变,证明有新的晶格结构形成;升温速率8℃/min下,CL-20/TKX-50共晶的主要热分解峰温为222.8℃,与CL-20、TKX-50的热分解峰温240.3、234.9℃相比,分别提前了17.5℃和12.1℃,明显区别于具有两个放热过程的CL-20/TKX-50混合物的热分解行为;CL-20/TKX-50共晶炸药的感度显著低于原料CL-20,同时也优于β-HMX,说明其具有良好的安全性能;CL-20/TKX-50共晶的预测爆速和爆压分别为9264m/s和43.8GPa,较CL-20均略微下降,但和β-HMX相比,爆轰性能明显提高。表面静电势能和建模分析均表明,CL-20中—NO2的O与TKX-50中—NH+3的H之间易于形成氢键。

To reduce the sensitivity of CL-20,the CL-20/TKX-50 cocrystal explosive was successfully prepared by solvent-nonsolvent method.The surface electrostatic potentials of CL-20 and TKX-50 were analyzed by Materials Studio 5.0 software,and the possible noncovalent bonding between cocrystal molecules was predicted.Its morphology and structure were characterized by scanning electron microscopy(SEM),X-ray diffraction(XRD),infrared(IR)and Raman spectroscopy(Raman).The thermal properties were measured by differential scanning calorimetry(DSC),the impact sensitivity was tested and the detonation performance was predicted.The results show that the prepared CL-20/TKX-50 cocrystal has a flat sheet shape.The formation,disappearance,shift and change of intensity of peaks in XRD,IR and Raman spectra prove the formation of a new lattice structure.At the heating rate of 8℃/min,the main thermal decomposition peak temperature of CL-20/TKX-50 cocrystal is 222.8℃,that is 17.5℃and 12.1℃earlier than that of CL-20 and TKX-50 at 240.3℃and 234.9℃,respectively,which is obviously different from that of CL-20/TKX-50 mixture with two exothermic processes.The sensitivity of CL-20/TKX-50 cocrystal explosive is significantly lower than that of CL-20 and better than that ofβ-HMX,which indicates that it has good safety performance.The predicted detonation velocity and detonation pressure of CL-20/TKX-50 cocrystal are 9264m/s and 43.8GPa,slightly lower than that of CL-20,while compared withβ-HMX,the detonation performance is significantly improved.Both the surface electrostatic potential energy and modeling analysis show that hydrogen bond is easy to form between O of—NO2 in CL-20 and H of—NH+3 in TKX-50.