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CL-20/TNT含能共晶热分解的ReaxFF MD模拟
任春醒; 李晓霞; 聂峰光; 郭力
2016
Conference Name中国化学会第30届学术年会-第四十六分会:燃烧化学
Source Publication中国化学会第30届学术年会摘要集-第四十六分会:燃烧化学
Conference Date2016-07-01
Conference Place中国辽宁大连
Abstract

本文采用反应分子动力学方法ReaxFF MD~[1]探究CL-20/TNT含能共晶热分解过程的反应机理,对CL-20/TNT在不同温度下的等温热分解以及不同升温速率下的非等温热分解进行了模拟。借助课题组独特的反应分析及可视化工具VARxMD~[2]对热分解过程中主要物质的演化规律进行分析,分析了重要中间物和产物的演化趋势,并获得了相应的反应机理~1。

Keyword热分解 Reaxff Md Cl-20/tnt 反应机理
Document Type会议论文
Identifierhttp://ir.ipe.ac.cn/handle/122111/22186
Collection研究所(批量导入)
Affiliation1.中国科学院过程工程研究所
2.中国科学院大学
Recommended Citation
GB/T 7714
任春醒,李晓霞,聂峰光,等. CL-20/TNT含能共晶热分解的ReaxFF MD模拟[C],2016.
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