全部 标题 作者
关键词 摘要

OALib Journal期刊
ISSN: 2333-9721
费用:99美元

查看量下载量

相关文章

更多...
含能材料  2013 

5-氨基四唑硝仿盐的理论计算

Keywords: 物理化学,5-氨基四唑,硝仿,离子盐,爆轰性能

Full-Text   Cite this paper   Add to My Lib

Abstract:

采用量子化学方法研究了5-氨基四唑硝仿盐的结构和性能,计算了5-氨基四唑硝仿盐的密度、生成热、爆速、爆压等,其预测密度为1.93g·cm-3,估算爆速和爆压分别为9.47km·s-1和38.82GPa,爆轰性能高于TNT,RDX和HMX。

References

[1]  Denffer M, Klaptke T M, Kramer G.Improved synthesis and X-ray structure of 5-aminote- trazolium nitrate[J].Propellants, Explos, Pyrotech, 2005,30(3): 191-195.
[2]  Gbel M, Klaptke T M, Mayer P.Crystal structure of the potassium and silver salts of nitroform[J].Z.Anorg Allg Chem, 2006,632: 1043-1050.
[3]  Huang Y, Gao H, Twamley B, et al.Synthesis and characterization of new energetic nitroformate salts[J].Eur J Inorg Chem, 2007,14: 2025-2030.
[4]  Parr R G, Yang W.Density functional theory of atoms and molecules[J].Inter J Quan Chem, 1989,47(1): 101.
[5]  Wang G X, Gong X D, Liu Y, et al.Theoretical studies on the structures, density, detonation properties, pryolysis mechanisms and impact sensitivity of nitro derivatives of toluenes[J].J Hazard Mater, 2010,177: 703-710.
[6]  Jenkins H D B, Tudela D, Glasser L.Lattice potential energy estimation for complex ionic salts from density measurements[J].Inorg Chem, 2002,41(9): 2364-2367.
[7]  Density, Heat of formation , energetic properties and thermodynamics of formation of energetic nitrogen rich salts containing substituted.protonated and methylated tetrazole cations: Acomputational study[J].J Phys Chem C, 2010,114:13142-13152.
[8]  Lin Q H, Li Y C, Li Y Y, et al.Energetic salts based on 1-amino-1,2, 3-triazole and 3-mlthyl-1-amino-1,2, 3-triazole[J].J Mater Chem, 2012,22: 666-674.
[9]  黄海丰, 孟子晖, 周智明, 等.含能盐和含能离子液体[M].化学进展, 2009,21: 152-164.HAUANG Hai-feng, MENG Zi-hui, ZHOU Zhi-ming, et al.Energetic salts and energetic ionic liquids[J].Progress in Chemistry, 2009,21: 152-164.
[10]  Ling He, Guo H T, Parrish D A, et al.Nitrocyanamide-based inoic liquids and their potential applications as hypergolic fuels[J].J Eur Chem, 2010,16: 5736-5743.
[11]  曹菊珍, 周淑荣, 李德谦.铸装TNT爆轰性能的数值模拟[J].含能材料, 1997,5(3): 121-127.CAO Ju-zhen, ZHOU Shu-rong, LI De-qian.The numerical modeling of detonation properties of cast TNT[J].Chinese Journal of Energetic Materials(Hanneng Cailiao), 1997,5(3): 121-127.
[12]  Elbeih A, Pachman J, Zeman S.Thermal stability and detonation characteristics of pressed and elastic explosives on the basis of selected cyclic nitramines[J].Cen Eur J Ener Mater, 2010,7(3): 217-232.
[13]  Hammerl A, Klaptke T M, Warchhold M.Barium salts of tetrazole derivatives-synthesis and characterization[J].Propellants, Explos, Pyrotech, 2003,28(4): 163-180.
[14]  Khler J, Meyer R.Explosive[M].Explosivestoffe, 7th ed.; Wiley-VCH: Weinheim, Germany, 1991.
[15]  Chavez D E, Hiskey M A, Gilardi R D.Novel high-nitrogen materials based on nitroguanyl- substituted tetrazines[J].Org Lett, 2004,6(17): 2889-2891.
[16]  Hammerl A, Klaptke T M, Warchhold M.Synthesis, structure, molecular orbital and valence bond calculations for tetrazole Azide, CHN7[J].Propellants, Explos, Pyrotech, 2003,28(4): 163-173.
[17]  Ostrovskii V A, Pevzner M S, Kofman T P, et al.Engertic 1,2, 4-triazoles and tetrazoles.Synthesis, structure and properties[M].Targets Heterocycl.Syst.1999,3: 467-526.
[18]  Klaptke T M, Mayer P, Welch J M, et al.Simple, nitrogen-rich, energetic Salts of 5-Nitro-tetrazole[J].Inorg Chem, 2008,47: 6014-6027.
[19]  Klaptke T M, Sabaté C M.5-Amino-tetrazolium 5-Aminotetrazolates- New Insensitive Nitrogen-Rich Materials[J].Z Anorg Allg Chem, 2009,635: 1812-1822.
[20]  Kamlet M J, Jacobs S J.The chemistry of detonation.Ⅰ.a simple method for calculating detonation properties of C—H—N—O explosives[J].J Chem Phys, 1968,48(1): 23-25.

Full-Text

Contact Us

service@oalib.com

QQ:3279437679

WhatsApp +8615387084133