一个聚合物修改的LLM-105具有延迟分解开始和快速转换
Hao-Rui Zhang1,2, Yingqi Mao1, Junru Wang2
1National Key Laboratory of Solid Rocket Propulsion, Northwestern Polytechnical University, Xi'an 710072, China.
Langmuir : the ACS journal of surfaces and colloids
|March 11, 2026
概括
在LLM-105中添加triaminoguanidine-glyoxal能量聚合物 (TAGP) 会延迟分解并提高安全性. 这种高能聚合物通过促进和富含水的分解产物来改变热解.
科学领域:
- 能量材料科学 能量材料科学
- 计算化学计算化学
- 材料工程 材料工程 材料工程
背景情况:
- 像LLM-105这样的高能材料的热解对于安全性和性能至关重要.
- 了解对分解机制的界面影响是材料设计的关键.
- 目前的方法缺乏综合计算和实验方法来研究这些接口.
研究的目的:
- 为了研究通过高能聚合物添加剂的界面约束如何影响LLM-105热解.
- 阐明结合的早期和晚期分解机制.
- 开发一个以计算为指导的框架来分析能量材料的行为.
主要方法:
- 反应分子动力学 (MD) 模拟与热重力测量-微分扫描热量测量-里埃变换红外光谱学 (TG-DSC-FTIR) 结合起来.
- 在LLM-105晶体体之间引入了三氨基瓜尼丁-酸能量聚合物 (TAGP) 板.
- 分析了分解开始,气体演变 (NO2,N2,H2O,CO2,CO) 和反应途径.
主要成果:
- TAGP加法可测量调节的LLM-105分解行为.
- 观察到延迟的分解开始和抑制的早期NO2释放,最低NO2在~2.24重量%的TAGP.
- TAGP的修改使反应网络转向更安全的产品 (更高的N2,H2O,CO2;更低的CO) 通过加强NOx减少和CO氧化.
结论:
- 使用TAGP的接口工程是一种有效的策略,可以提高不敏感的高能材料的安全性.
- 早期TAGP的热解提供了调节界面化学的捐赠者和基因.
- 较小的TAGP负载 (2.24重量%) 通过延迟分解和促进富含N2/H2O的分解产品来提高安全性.
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