Thermal behavior of 1,7-diamino-1,7-dinitrimino-2,4,6-trinitro-2,4,6-triazaheptane
文献类型：期刊论文
| 作者 | Liu, Long1,2; Jian, Yong2; Li, Zengxi1; Li, Chunshan2 |
| 刊名 | THERMOCHIMICA ACTA
 |
| 出版日期 | 2012-08-10 |
| 卷号 | 541期号:0页码:25-30 |
| 关键词 | Thermal behaviors In situ pyrolytic Density functional theory Energetic materials APX |
| ISSN号 | 0040-6031 |
| 通讯作者 | Li, ZX |
| 英文摘要 | This paper describes the synthesis and thermal behavior of 1.7-diamino-1,7-dinitrimino-2,4,6-trinitro2,4,6-triazaheptane (APX). The non-isothermal kinetics of APX was calculated by using the differential isoconversional method based on thermo-gravimetric/differential thermal analyzer results. It was found that with the extent of conversion increase, the activation energy increase from 136.6 kJ/mol to the highest value of 294.0 kJ/mol at the conversion of 40%, and then decrease to 248.2 kJ/mol; In addition. the decomposition mechanism of APX was systematically studied by in situ pyrolytic Fourier transform infrared spectroscopy, electron impact ionization analysis and density functional theory. The final decomposition products of APX were conformed to include N2O, NO2, CONH, H2CO, etc. The lowest bond dissociation energy of APX is N-N bonds and these may be decomposed initially. Finally, the most probable decomposition pathway based on the N6-N7 bond homolysis was proposed and the theoretical results are in good agreement with experimental data. (C) 2012 Elsevier B.V. All rights reserved. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Chemistry, Analytical ; Chemistry, Physical |
| 研究领域[WOS] | Chemistry |
| 关键词[WOS] | AB-INITIO ; UNIMOLECULAR DECOMPOSITION ; ENERGETIC SALTS ; MECHANISMS ; HMX ; 1,2-DINITROGUANIDINE ; SENSITIVITIES ; EXPLOSIVES ; NITRAMINES ; PYROLYSIS |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000306253800004 |
| 公开日期 | 2013-10-16 |
| 版本 | 出版稿 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/3559]  |
| 专题 | 过程工程研究所_多相复杂系统国家重点实验室 |
| 作者单位 | 1.Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China 2.Chinese Acad Sci, Inst Proc Engn, State Key Lab Multiphase Complex Syst, Beijing Key Lab Ion Liquids Clean Proc, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Liu, Long,Jian, Yong,Li, Zengxi,et al. Thermal behavior of 1,7-diamino-1,7-dinitrimino-2,4,6-trinitro-2,4,6-triazaheptane[J]. THERMOCHIMICA ACTA,2012,541(0):25-30. |
| APA | Liu, Long,Jian, Yong,Li, Zengxi,&Li, Chunshan.(2012).Thermal behavior of 1,7-diamino-1,7-dinitrimino-2,4,6-trinitro-2,4,6-triazaheptane.THERMOCHIMICA ACTA,541(0),25-30. |
| MLA | Liu, Long,et al."Thermal behavior of 1,7-diamino-1,7-dinitrimino-2,4,6-trinitro-2,4,6-triazaheptane".THERMOCHIMICA ACTA 541.0(2012):25-30. |
入库方式： OAI收割
来源：过程工程研究所
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