Spectro-thermal decomposition study of 1,4-dinitroglycoluril (DINGU)

V.H. Khire; M.B. Talawar; K.V. Prabhakaran; T. Mukundan; E.M. Kurian

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Spectro-thermal decomposition study of 1,4-dinitroglycoluril (DINGU)

机译：1,4-二硝基甘脲（DINGU）的光谱热分解研究

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Simultaneous thermal analysis and high temperature FTIR study of 1,4-dinitroglycoluril (DINGU) is reported. TG showed 90% weight loss in the temperature range 225-250℃. Isothermal TG of DINGU showed about 70% weight loss in the temperature range 210-230℃. Kinetic parameters evaluated using a computer program showed that α-t data are best described by the Avrami-Erofeev's equation for n = 2 with an activation energy of 165 kJ/mol. The kinetics of decomposition of DINGU was followed by studying N-H (3388 cm~(-1)), C=O (1770-1810 cm~(-1)) and NO_2 symmetric stretching (1565-1570 cm~(-1)) IR bands. All three bands showed loss of intensity with temperature and time, α-t data of decomposition with respect to NO_2 stretching was again best described by the Avrami-Erofeev's equation for n = 2. Gaseous decomposition products observed in the IR were N_2O, NO_2, CO_2, HCN and NO. PM3 and Hartree-Fock level calculations on various bond lengths, bond angles and dihedral angles were computed to support the analysis of decomposition study using TG and IR. The data showed that C-N and N-H bonds are much shorter than the N-N bonds, indicative of the weaker N-N bond and hence, the possibilities of rupture of the same bond preferentially. This paper also discusses the sensitivity and performance properties of DINGU.

机译：报道了同时热分析和高温FTIR研究1,4-二硝基甘脲（DINGU）。 TG在225-250℃的温度范围内显示出90％的失重。 DINGU的等温TG在210-230℃的温度范围内显示出约70％的重量损失。使用计算机程序评估的动力学参数表明，对于n = 2的Avrami-Erofeev方程，活化能为165 kJ / mol，α-t数据最能描述。研究DINGU的分解动力学，然后研究NH（3388 cm〜（-1）），C = O（1770-1810 cm〜（-1））和NO_2对称拉伸（1565-1570 cm〜（-1））。红外波段。所有这三个谱带均显示强度随温度和时间而损失，关于n_2的分解，关于NO_2拉伸的α-t数据再次用Avrami-Erofeev方程最佳地描述，在IR中观察到的气态分解产物为N_2O，NO_2， CO_2，HCN和NO。计算了不同键长，键角和二面角的PM3和Hartree-Fock能级，以支持使用TG和IR进行分解研究的分析。数据表明，C-N和N-H键比N-N键短得多，这表明N-N键较弱，因此优先断裂同一键的可能性。本文还讨论了DINGU的灵敏度和性能特性。

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来源
《Journal of Hazardous Materials》 |2005年第3期|p.63-68|共6页
作者
V.H. Khire; M.B. Talawar; K.V. Prabhakaran; T. Mukundan; E.M. Kurian;
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作者单位

High Energy Materials Research Laboratory, Sutarwadi, Pune 411021, India;

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收录信息美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);美国《化学文摘》(CA);
原文格式 PDF
正文语种 eng
中图分类工程基础科学;
关键词
1,4-dinitroglycoluri; (DINGU); hazardous material; spectro-thermal decomposition; kinetic parameters;

机译：1,4-二硝基甘露醇;（DINGU）;有害物质;光谱热分解;动力学参数;

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Spectro-thermal decomposition study of 1,4-dinitroglycoluril (DINGU)

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