An Investigation into the Effects of Additives on Crystal Characteristics and Impact Sensitivity of RDX |
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Authors: | Dong-Xu Wang Shu-Sen Chen Yan-Yue Li Jia-Yun Yang Tian-Yu Wei |
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Affiliation: | 1. School of Material Science and Engineering , Beijing Institute of Technology , Beijing , China;2. Gansu Yinguang Chemical Industry Group Co., Ltd. , Baiyin , China |
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Abstract: | Additives are one of the most important factors that greatly affect the crystal characteristics of the high energy compound hexahydro-1,3,5-trinitro-1,3,5-s-triazine (RDX, C3H6N6O6) and they have an influence on impact sensitivity. In this article, a growth morphology method was applied to obtain the crystal habit of RDX in a vacuum as well as the morphologically important faces, and molecular dynamics simulations were applied to calculate the interaction energy between these crystal faces and additive molecules for prediction of the additive-effect crystal habits of RDX. On this basis, crystal characteristics including crystal morphology, aspect ratio, and total surface charge were investigated. Then the particle size and surface electrostatic voltage of the samples from recrystallization were analyzed experimentally. The impact sensitivity test indicated that acrylamide, which could enhance the regularity and degree of sphericity of RDX crystals and effectively reduce the surface static electricity of RDX, was successful in reducing the impact sensitivity of RDX as an additive for crystallization. The above experimental results were in good agreement with the conclusions based on the theoretical calculations. |
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Keywords: | additive crystal characteristics growth morphology impact sensitivity molecular dynamics RDX |
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