Theoretical and Experimental Studies on the Crystal Morphology of Transition-Metal Carbohydrazide Perchlorate Complexes

被引:2
|
作者
Yang Li [1 ]
Zhang Guo-Ying [1 ]
Liu Ying [1 ]
Zhang Tong-Lai [1 ]
机构
[1] Beijing Inst Technol, State Key Lab Explos Sci & Technol, Beijing 100081, Peoples R China
基金
中国国家自然科学基金;
关键词
Crystal morphology; Prediction; Attachment energy; Growth rate; UNIVERSAL FORCE-FIELD; ENERGETIC MATERIALS; THERMAL-BEHAVIOR; GAS; SIMULATIONS; MOLECULES; GROWTH; AGENTS;
D O I
10.3866/PKU.WHXB201706193
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The crystal growth morphologies of manganese carbohydrazide perchlorate, iron carbohydrazide perchlorate, cobalt carbohydrazide perchlorate, nickel carbohydrazide perchlorate and cadmium carbohydrazide perchlorate were investigated by Bravais-Freidel-Donnay-Harker (BFDH) and growth morphology method. The results show that the crystal morphologies of them are close to oblong block shapes, and the growth on (101) and (002) faces are the most important growth direction because of the minimum relative growth rates. According to the cleaved main growth faces, it can be inferred that crystal-control reagents with the active hydrogen atoms in the functional groups can effectively control the crystal morphology for them. In addition, the experimental morphologies of them were synthesized and observed by a coldfield-emission scanning electron microscope. It is concluded that AE model are nearer to experimental morphology, and more reliable to predict crystal morphologies for carbohydrazide perchlorates.
引用
收藏
页码:2463 / 2471
页数:9
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