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Effects of additives on the crystal morphology of TATB

机译:添加剂对TATB晶体形态的影响

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The morphology controlling of TATB (1,3,5-triamino-2,4,6-trinitrobenzene) can help to control preferred orientation and anisotropic expansion of TATB based PBXs, as well as to improve crystal quality, desensitizing efficiency, packing density, and even explosive energy. This paper investigates the effects of additives on the crystal morphology of TATB. It is shown that the additives that can form hydrogen bonds with TATB molecules lead to near-spherical crystals, while additives with big conjugated n-bonds lead to platy crystals. This can attribute to the different interaction between the solvents and different face of TATB crystals. The solvents with hydrogen bond acceptor and donor are easy to attach to the {100} and {010} face, and will restrict the crystal growth of these faces. Subsequently, they will be more morphology important and have stronger diffraction peak in the XRD pattern. By π-staking interaction, the additives containing aromatic n-bonds can restrict the crystal growth of {001} face, and make it the most morphological important crystal face, only whose diffraction peak can be observed in the XRD patterns. The results of this investigation will provide some guide for the crystal morphology controlling of TATB.
机译:控制TATB(1,3,5-三氨基-2,4,6-三硝基苯)的形态可帮助控制基于TATB的PBX的优选取向和各向异性扩展,以及改善晶体质量,降低灵敏度,填充密度,甚至爆炸性的能量本文研究了添加剂对TATB晶体形态的影响。结果表明,可与TATB分子形成氢键的添加剂可导致形成近球形晶体,而具有大共轭n键的添加剂可导致板状晶体。这可以归因于溶剂与TATB晶体不同表面之间的不同相互作用。具有氢键受体和施主的溶剂易于附着在{100}和{010}面上,并会限制这些面的晶体生长。随后,它们将在形态上更重要,并且在XRD图谱中具有更强的衍射峰。通过π-桩相互作用,含有芳族n键的添加剂可以限制{001}面的晶体生长,并使其成为最形态上最重要的晶体面,仅在XRD图样中可以观察到其衍射峰。研究的结果将为TATB的晶体形态控制提供一些指导。

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