以氨基磺酸铵为原料,经过硝化反应、离子交换反应两步合成了二硝酰胺铵(ADN),对ADN进行了表征,利用Materials Studio软件中Growth Morphology方法模拟了ADN的晶体形态和结晶习性,分析了重要晶面的结构与溶剂和晶形控制剂的关系,并开展AND的重结晶实验研究.结果表明:在极性质子溶剂的影响下,ADN晶体会向长径比变大的方向生长,选择分子结构中具有负电子作用基团的晶体生长控制剂可减小 ADN 晶体的形状系数;在 ADN的重结晶实验中,采用作用基团为NO3-的晶体生长控制剂制得块状ADN晶体,其形貌规则、长径比明显变小、表面光滑、分散性较好.实验结果与理论预测结果相符.%Ammonium dinitramide (ADN) was synthesized by nitrification reaction and ion exchange reaction, using ammonium sulfamate as material. The structure of ADN was characterized, and the crystal morphology and crystallization behavior of ammonium dinitramide were predicted using Growth Morphology methods contained in morphology module of Materials Studio 6.0. Meanwhile, the relationship of the structures of important crystal faces with the media of crystallization and crystal morphology modifier were analyzed, as well as the recrystallization experiment was carried out. The results show that, the aspect ratio of ADN will be increased in the solvents with strong polarity, and the morphology control agent containing negative electronics group can be selected to reduce the shape factor of the crystal. By using the morphology control agent containing nitrate group as the additive in the recrystallization experiment, free-running block-like ADN crystals with small aspect ratio and smooth surface were obtained. The experimental result was consistent with the simulation results.
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