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按照文献方法制备了双(2,2,2-三硝基乙基)胺(BTNA),并通过元素分析、红外和差示扫描量热分析对其结构进行了表征。利用Materials Studio软件中Growth Morphology方法模拟了BTNA的晶体形态和结晶习性,分析了重要晶面的结构与溶剂的关系。结果表明,在极性溶剂中(111)晶面将成为形态学上最重要的晶面,(002)、(102)及(020)的显露面将有所增加,(200)、(021)晶面的重要性降低。而在非极性或弱极性溶剂中,弱极性晶面的重要性增加。采用弱极性溶剂二氯甲烷对BTNA进行了重结晶,扫描电镜结果表明重结晶后的晶体比直接水中制备的晶体的形貌规则化、长径比变小。实验结果与理论预测吻合。
Bis (2,2,2-trinitroethyl) amine (BTNA) was prepared according to the literature method and its structure was characterized by elemental analysis, infrared and differential scanning calorimetry. Growth Morphology method was used to simulate the crystal morphology and crystallization habit of BTNA. The relationship between structure and solvent of the important crystal plane was analyzed. The results show that the (111) crystal plane will become the morphologically the most important crystal plane in polar solvents, and the (002), (102) and (020) The importance of the crystal face is reduced. In non-polar or weakly polar solvents, the importance of weakly polar facets increases. The BTNA was recrystallized from methylene chloride, a weakly polar solvent. The results of scanning electron microscopy showed that the recrystallized crystal was more regular than the crystal prepared in direct water, and the aspect ratio became smaller. The experimental results are in good agreement with the theoretical predictions.