Thermal hazard evaluation of N-guanylurea dinitramide (GUDN) by using kinetic-based simulation approach
Thermal hazard evaluation of N-guanylurea dinitramide (GUDN) by using kinetic-based simulation approach
复制标题
使用基于动力学的模拟方法评估 N-脒基脲二硝酰胺 (GUDN) 的热危害
DOI：
10.1007/s10973-019-09074-y
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发表时间：
2019-11
影响因子：
4.4
通讯作者：
Yin Ying
中科院分区：
文献类型：
--
作者：
Li Chen;Ma Fengguo;Sun Jie;Sui Heliang;Yu Qian;Zhao Lang;Yin Ying
To promote the practical application of N-guanylurea dinitramide (GUDN), it is necessary to identify the thermal kinetics and evaluate thermal hazards of GUDN under various environmental conditions. In this study, we present that the thermal decomposition of GUDN is a typical autocatalytic reaction and the model-based kinetics was established by simultaneous fitting of a series of nonisothermal DSC data at different heating rates, which can be described as a generalized autocatalytic model, expressed as dαdt=2.29×1023exp-225240/RT1-α1.76α1.47+0.59e-18300RT\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\frac{{{\text{d}}\alpha }}{{{\text{d}}t}} = 2.29 \times 10^{23} \exp \left( { - 225240/RT} \right)\left( {1 - \alpha } \right)^{1.76} \left( {\alpha^{1.47} + 0.59{\text{e}}^{ - 18300{\text{RT}}} } \right)$$\end{document}. The reaction model exhibits a reasonable fitting to the experimental results with a high correlation coefficient R2 of 0.9994. Based on the established kinetic model, important thermal safety indicators, such as the time to conversion limit, adiabatic time to maximum rate, and self-accelerating decomposition temperature, were simulated, providing important basis concerning the thermal hazard of GUDN in practical applications.
To promote the practical application of N-guanylurea dinitramide (GUDN), it is necessary to identify the thermal kinetics and evaluate thermal hazards of GUDN under various environmental conditions. In this study, we present that the thermal decomposition of GUDN is a typical autocatalytic reaction and the model-based kinetics was established by simultaneous fitting of a series of nonisothermal DSC data at different heating rates, which can be described as a generalized autocatalytic model, expressed as dαdt=2.29×1023exp-225240/RT1-α1.76α1.47+0.59e-18300RT\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\frac{{{\text{d}}\alpha }}{{{\text{d}}t}} = 2.29 \times 10^{23} \exp \left( { - 225240/RT} \right)\left( {1 - \alpha } \right)^{1.76} \left( {\alpha^{1.47} + 0.59{\text{e}}^{ - 18300{\text{RT}}} } \right)$$\end{document}. The reaction model exhibits a reasonable fitting to the experimental results with a high correlation coefficient R2 of 0.9994. Based on the established kinetic model, important thermal safety indicators, such as the time to conversion limit, adiabatic time to maximum rate, and self-accelerating decomposition temperature, were simulated, providing important basis concerning the thermal hazard of GUDN in practical applications.
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DOI：
10.1002/9780470938317
发表时间：
1993-01
期刊：
--
影响因子：
--
作者：
H. G. Fisher
通讯作者：
H. G. Fisher
影响因子：
3.5
作者：
Kossoy, Arcady A.;Belokhvostov, Vasily M.;Koludarova, Elena Yu.
通讯作者：
Koludarova, Elena Yu.
影响因子：
13.6
作者：
Kossoy, A;Benin, A;Akhmetshin, Y
通讯作者：
Akhmetshin, Y
影响因子：
4.4
作者：
G. Rao;W. Feng;Jun Zhang;Shunyao Wang;Li-ping Chen;Zichao Guo;Wang-hua Chen
通讯作者：
G. Rao;W. Feng;Jun Zhang;Shunyao Wang;Li-ping Chen;Zichao Guo;Wang-hua Chen
影响因子：
3.5
作者：
Lang Zhao;Ying Yin;Heliang Sui;Yu Qian;Shanhu Sun;Haobin Zhang;Shunyao Wang;Li-ping Chen;Jie Sun
通讯作者：
Lang Zhao;Ying Yin;Heliang Sui;Yu Qian;Shanhu Sun;Haobin Zhang;Shunyao Wang;Li-ping Chen;Jie Sun