Insight into electrostatic initiation of nitramine explosives

详细信息    查看全文

• 作者：Bisheng Tan ; Zhipeng Li ; Xudong Guo ; Jingming Li ; Yong Han…
• 关键词：Electrostatic sensitivity ; Electric breakdown ; Molecular electrostatic potential ; Ionization energy
• 刊名：Journal of Molecular Modeling
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：23
• 期：1
• 全文大小：
• 刊物类别：Chemistry and Materials Science
• 刊物主题：Computer Applications in Chemistry; Molecular Medicine; Computer Appl. in Life Sciences; Characterization and Evaluation of Materials; Theoretical and Computational Chemistry;
• 出版者：Springer Berlin Heidelberg
• ISSN：0948-5023
• 卷排序：23

文摘

The electrostatic safety of explosives is of great importance. However, the mechanism for the transfer of energy from an electrostatic spark to the reactive center of an explosive material is not well understood. Thus, in this work, we attempted to clarify the mechanism associated with the static-electricity-initiated detonation of explosives using a model of the interaction that incorporated relevant parameters. Nitramine explosives were considered as examples to study the relationship between electrostatic spark energy and 32 relevant parameters. The four parameters that were most closely correlated with the electrostatic spark energy were the standard deviation of the negative electrostatic potential, the minimum surface electrostatic potential, the minimum ionization energy, and the detonation pressure. A model for the dependence of the electrostatic spark energy on these four parameters was derived using the theoretical method known as genetic function approximation. The electrostatic spark energy values predicted using this model were in good agreement with the corresponding experimental values. The results of this work should lead to a deeper understanding of the electrostatic initiation mechanism of nitramines, and help to inspire the design of new explosives.