A mechanism for two-step thermal decomposition of 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105)
A mechanism for two-step thermal decomposition of 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105)
复制标题
2,6-二氨基-3,5-二硝基吡嗪-1-氧化物（LLM-105）的两步热分解机理
DOI：
10.1039/d0cp02159h
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发表时间：
2020
影响因子：
3.3
通讯作者：
Li Jinshan
中科院分区：
文献类型：
--
作者：
Yu Qian;Zhao Chu;e;Liao Longyu;Li Hongzhen;Sui Heliang;Yin Ying;Li Jinshan
2,6-二氨基-3,5-二硝基吡嗪-1-氧化物（LLM-105）是新一代低感度含能材料的代表，作为不感度高能成分已广泛应用于配方中。虽然基于量子化学计算研究了LLM-105的初始热分解机理，但两步热分解的内部机理仍缺乏实验研究。因此，本研究涉及详细的实验研究，以揭示LLM-105两步热分解的机理。结果表明LLM-105衰变是连续反应。 LLM-105分解的早期阶段以第一步反应为主，其产物参与第二步反应。 LLM-105的NO2和NH2基团的裂解主要发生在第一步，而气态产物NO和C2N2在第二步反应中释放。第一步反应具有较高的耗氧率和较低的碳消耗率，由于碳主链更广泛的氧化而产生更多的热量。两个步骤之间氧化能力和反应速率的差异导致了两步放热和质量损失行为。该研究进一步深入了解了LLM-105的整个反应过程，有助于其更好的应用和新型炸药的设计。
2,6-Diamino-3,5-dinitropyrazine-1-oxide (LLM-105) is a representative of the new generation of low-sensitivity energetic materials and has been applied extensively in formulations as an insensitive high-energetic ingredient. Although the initial thermal decomposition mechanism of LLM-105 has been studied based on quantum chemical calculations, the internal mechanism of the two-step thermal decomposition still lacks experimental research. Thus, this study involves a detailed experimental study to reveal the mechanism of the two-step thermal decomposition of LLM-105. The results showed that LLM-105 decay was a consecutive reaction. The first-step reaction dominated the early stage of the LLM-105 decomposition, and its products participated in the reaction of the second step. The cleavage of NO2 and NH2 groups of LLM-105 mainly occurred in the first step, while gaseous products NO and C2N2 were released during the second reaction step. The first-step reaction had a higher oxygen consumption rate and a lower carbon consumption rate, producing more heat due to more extensive oxidation of the carbon backbone. The difference in the oxidative ability and reaction rate between the two steps resulted in a two-step exothermic and mass loss behavior. This study provides further insights into the entire reaction process of LLM-105 and would be helpful for its better application and for the design of new explosives.