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Preparation of CL-20/DNDAP cocrystals by a rapid and continuous spray drying method: an alternative to cocrystal formation†
CrystEngComm ( IF 3.1 ) Pub Date : 2018-03-07 00:00:00 , DOI: 10.1039/c8ce00006a
Ning Liu 1, 2, 3, 4, 5 , Binghui Duan 1, 2, 3 , Xianming Lu 1, 2, 3, 4, 5 , Hongchang Mo 1, 2, 3 , Minghui Xu 1, 2, 3 , Qian Zhang 1, 2, 3 , Bozhou Wang 1, 2, 3, 4, 5
Affiliation  

Cocrystals of 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane (CL-20) and 2,4-dinitro-2,4-diazapentane (DNDAP) in a 2 : 1 molar ratio were prepared by both slow evaporation and spray drying methods. The structure of the cocrystals was characterized using single crystal X-ray diffraction and it showed evidence of hydrogen bonds between HCL-20 and ODNDAP to the primary stabilizing force in cocrystal formation. Infrared spectroscopy and powder X-ray diffraction analysis indicated that the polycrystalline product from the spray drying method is consistent with the single crystals from solution crystallization. DSC and TG tests revealed that the exothermic decomposition of the cocrystal occurs via two main continuous steps with peak maxima at 223.5 °C and 254.1 °C and largely increases the melting point of DNDAP by 129.9 °C. The cocrystal possesses high detonation velocity and detonation pressure (8997 m s−1 and 37.5 GPa, respectively); meanwhile it features significantly reduced impact and friction sensitivities relative to those of CL-20. These results demonstrate that the CL-20/DNDAP cocrystal can be utilized as a promising ingredient in explosive applications.

中文翻译:

通过快速连续的喷雾干燥方法制备CL-20 / DNDAP共晶:共晶形成的替代方法

通过缓慢蒸发和喷雾制备摩尔比为2:1的2,4,6,8,10,12-六硝基六氮杂异纤锌矿型结构烷烃(CL-20)和2,4-二硝基-2,4-二氮杂戊烷(DNDAP)的共晶体干燥方法。用单晶X射线衍射表征了共晶体的结构,并显示出H CL-20和O DNDAP之间的氢键对共晶体形成中的主要稳定力的证据。红外光谱和粉末X射线衍射分析表明,喷雾干燥法得到的多晶产物与溶液结晶得到的单晶一致。DSC和TG测试表明共晶的放热分解是通过两个主要的连续步骤,其最大峰值分别在223.5°C和254.1°C时,并大大提高了DNDAP的熔点129.9°C。共晶具有高爆轰速度和爆轰压力(分别为8997 ms -1和37.5 GPa);同时,与CL-20相比,它的冲击和摩擦敏感性大大降低。这些结果表明,CL-20 / DNDAP共晶可用作爆炸性应用中的有前途的成分。
更新日期:2018-03-07
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