Nitrogen heterocycles as nitrogen-rich energetic materials have been widely popularized in energetic materials, especially in gun propellant application areas. Recently, bis-tetrazole compounds have attracted increasing focus for their various outstanding features, such as a high nitrogen content, insensitivity, and high thermal stability. In order to gain a greater in-depth understanding of the thermal decomposition behavior of such materials, the thermal decomposition process of BTA·H₂O was systematically studied through a series of analyses. The thermal decomposition process and gas products were analyzed using TG-DSC-FTIR analysis. The results revealed that the pyrolysis process of BTA·H₂O was a complex reaction, including three main mass loss stages. After the removal of crystal water in the BTA·H₂O molecule, the thermal decomposition mechanism of BTA also was investigated by condensed-phase thermolysis by multiple mode calorimetry (MMC) assisted by SEM, FTIR, and XPS. The results revealed that the pyrolysis process of BTA was most likely to begin with a ring-opening reaction of the tetrazole ring, and the main gaseous products, including HCN, HN₃, and NH₃, were then released from the decomposition of BTA. According to the condensed-phase kinetics, a kinetic model describing the thermal decomposition process of BTA was proposed. Based on the above results and the force constant of the chemical bonds in BTA, a detailed mechanism for the thermal decomposition of BTA was proposed. In addition, thermal hazard prediction was performed for BTA. When the value of φ decreased from 64.23 to 47.65, TD24 decreased from 193.0 °C to 187.2 °C and TD8 decreased from 197.1 °C to 192.4 °C.

中文翻译：

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深入了解5,5′-双(1H-四唑基)胺一水合物(BTA·H2O)热解机理：综合实验和动力学模型分析

氮杂环作为富氮含能材料，在含能材料特别是火炮发射药应用领域得到了广泛的推广。近年来，双四唑化合物因其各种优异的特性（例如高氮含量、不敏感性和高热稳定性）而引起了越来越多的关注。为了更深入地了解此类材料的热分解行为，通过一系列分析对BTA·H _{2 O的热分解过程进行了系统研究。}使用TG-DSC-FTIR分析热分解过程和气体产物。结果表明，BTA·H ₂ O的热解过程是一个复杂的反应，包括三个主要的质量损失阶段。去除BTA·H ₂ O分子中的结晶水后，通过多模量热法（MMC）凝聚相热解，并结合SEM、FTIR和XPS研究BTA的热分解机理。结果表明，BTA的热解过程最有可能以四唑环的开环反应开始，然后BTA分解释放出主要气态产物HCN、HN ₃和NH _{3 。}根据凝聚相动力学，提出了描述BTA热分解过程的动力学模型。基于上述结果和BTA中化学键的力常数，提出了BTA热分解的详细机理。此外，还对 BTA 进行了热危险预测。当φ值从64.23下降到47.65时，TD24从193.0℃下降到187.2℃，TD8从197.1℃下降到192.4℃。