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5-氨基四唑/高碘酸钠气体发生器的热动力学行为研究

Investigation on thermal kinetic behavior of 5 aminotetrazole/sodium periodate gas generator.

作者信息

Shi Chengkuan, Guo Zefeng, Zhou Bohuai, Liu Yichao, Huang Jun, Guan Hua

机构信息

School of Chemistry and Chemical Engineering, Nanjing University of Science and Technology, Nanjing, 210094, Jiangsu, China.

出版信息

Sci Rep. 2025 May 16;15(1):16997. doi: 10.1038/s41598-025-00820-x.

Abstract

This study presents the design of a gas-generating formulation with a stoichiometric 5-aminotetrazole/sodium periodate. TG-FTIR-MS analysis was used to investigate the thermal decomposition behavior of the gas generator. The thermal kinetic parameters were calculated by non-isothermal kinetic methods to gain insight into the reaction mechanism. The results of this study demonstrate a distinct decomposition process for this gas-generating agent compared to conventional 5AT-based formulations. Specifically, it eliminates the formation of melamine through deamination polymerization and subsequent deamination polymerization processes, directly decomposing into amino cyanic acid (NHCN), hydrogen cyanide (HCN), ammonia (NH), and nitrogen gas (N). Kinetic calculations were performed using model-free methods and model-fitting methods. With the addition of NaIO, the decomposition activation energy of the first stage was reduced to 180 kJ/mol by 100 kJ/mol, making the decomposition of 5AT easier. The reaction process in the first stage followed a reaction order model of F3/2. The results of this study contribute to better understanding of the thermal kinetics and reaction mechanism of 5AT/NaIO system, which is significant for improving the decomposition efficiency of 5AT and for gas generator design.

摘要

本研究提出了一种化学计量比为5-氨基四唑/高碘酸钠的产气配方设计。采用热重-傅里叶变换红外光谱-质谱联用分析技术研究了气体发生剂的热分解行为。通过非等温动力学方法计算热动力学参数,以深入了解反应机理。本研究结果表明,与传统的基于5-氨基四唑(5AT)的配方相比,这种产气剂具有独特的分解过程。具体而言,它通过脱氨基聚合和随后的脱氨基聚合过程消除了三聚氰胺的形成,直接分解为氨基氰(NHCN)、氰化氢(HCN)、氨(NH)和氮气(N)。使用无模型方法和模型拟合方法进行了动力学计算。添加高碘酸钠(NaIO)后,第一阶段分解活化能降低了100 kJ/mol至180 kJ/mol,使5AT的分解更容易。第一阶段的反应过程遵循F3/2反应级数模型。本研究结果有助于更好地理解5AT/NaIO体系的热动力学和反应机理,这对于提高5AT分解效率和气体发生剂设计具有重要意义。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2e39/12084313/ecf666f786ec/41598_2025_820_Fig1_HTML.jpg

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