期刊文献+

5-氨基四唑硝仿盐的理论计算 被引量:2

Theoretical Computation of 5-Aminotetrazolium Nitroformate
下载PDF
导出
摘要 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。 The structure and properties of 5-aminotetrazolium nitroformate were studied using quantum chemistry method. The density, heat of formation, detonation velocity and pressure were calculated. The calculated density was 1.93 g . cm 3, and the detonation velocity and pressure were 9.47 km. s-1 and 38.82 GPa, respectively. The detonation properties were better than those of TNT, RDX, HMX.
出处 《含能材料》 EI CAS CSCD 北大核心 2013年第2期213-216,共4页 Chinese Journal of Energetic Materials
基金 国家自然科学基金委员会与中国工程物理研究院联合基金(批准号:11176004)
关键词 物理化学 5-氨基四唑 硝仿 离子盐 爆轰性能 physical chemistry 5-aminotetrazole nitroform inoic salts detonation properties
  • 引文网络
  • 相关文献

参考文献20

  • 1Hammerl A, Klap6tke T M, Warchhold M. Barium salts of tet- razole derivatives-synthesis and characterization [J]. Propellants, Explos, Pyrotech, 2003, 28(4): 163-180.
  • 2Kbhler J, Meyer R. Explosive[J]. Explosivestoffe, 7th ed. ; Wiley-VCH: Weinheim, Germany, 1991.
  • 3Chavez D E, HiskeyM A, Gilardi R D. Novel high-nitrogen ma- terials based on nitroguanyl- substituted tetrazines[J]. Org Lett, 2004, 6(17): 2889 -2891.
  • 4Hammed A, KlaptkeTM, Warchhold M. Synthesis, structure, molecular orbital and valence bond calculations for tetrazole Az- ide, CHN7[J]. Propellants, Explos, Pyrotech, 2003, 28(4) : 163 -173.
  • 5OstrovskiiV A, Pevzner M S, KofmanTP, etal. Engerticl, 2, 4-tdazoles and tetrazoles. Synthesis, structure and properties [M]. Targets Heterocycl. Syst. 1999, 3:467-526.
  • 6KlapOtke 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.
  • 7Klaptke T M, SabatE C M. 5-Amino-tetrazolium 5-Aminotet- razolates- New Insensitive Nitrogen-Rich Materials[J]. Z Anorg AIIg Chem, 2009, 635:1812-1822.
  • 8Denffer M, KlapOtkeT M, Kramer G. Improved synthesis and X- ray structure of 5-aminote- trazolium nitrate[J]. Propellants, Ex- pies, Pyrotech, 2005, 30(3) : 191 -195.
  • 9GObel M, KlapOtke T M, Mayer P. Crystal structure of the potas- sium and silver salts of nitroform [ J ]. Z. Anorg AlJg Chem, 2006, 632 : 1043 - 1050.
  • 10HuangY, GaoH, Twamley B, etal. Synthesis and characteriza- tion of new energetic nitroformate salts[J], Eur J Inorg Chem, 2007, 14:2025 -2030.

二级参考文献26

  • 1孙锦山,曹菊珍,张铁桥,龚静号.钝感炸药爆轰性能的数值模拟[J].爆炸与冲击,1995,15(1):28-36. 被引量:1
  • 2Pleehkova N V, Seddon K R. Chem. Soc. Rev., 2008, 37 (1) : 123-150
  • 3Dyson P J, Geldbach T J. Electrochem. Soc. Interface., 2007, 16 (1): 50-53
  • 4Singh R P, Verma R D, Shreeve J M, et al. Angew. Chem. Int. Ed., 2006, 45:3584-3601
  • 5Drake G, Hawkins T, Mckay M, et al. Propellants, Explos., Pyrotech., 2003, 28:174-180
  • 6Agrawal J P. Prog. Energy Combust. Sci., 1998, 24:1
  • 7Xue H, Arritt S W, Twamley B. lnorg. Chem., 2004, 43: 7972-7977
  • 8Drake G, Kaplan G, Hall L, et al. J. Chem. CrystaUogr., 2007, 1 : 15-23
  • 9Xue H, Shreeve .I M. Adv. Mater., 2005, 17:2142-2146
  • 10Xue H, Gaa Y, Shreeve J M. Chem. Mater., 2005, 17:191-198

共引文献27

同被引文献19

  • 1Pagoria P F, Lee G S, Mitchell A R, et al. A review of energetic materials synthesis [ J ]. Thermochimica Acta, 2002, 384 ( 1 ) : 187 -204.
  • 2JIN Xing-hui, HU Bing-cheng, JIA Huan-qing, et al. Structure, thermal behavior, and energetic properties of 4-amino-1,2,4-tri- azole dinitroguanidine Salt[ J ]. Australian Journal of Chemistry, 2014, 67(2) : 277-282.
  • 3Zhang Y, Guo Y, Joo Y H, et al. 3, 4, 5-trinitropyrazole based energetic salts [ J ]. Chemistry-A European Journal, 2010, 16 (35) : 10778-10784.
  • 4Katritzky A R, Sommen G L, Gromova A V, et al. Synthetic routes towards tetrazolium and triazoliurn dinitromethylides [ J]. Chemistry of Heterocyclic Compounds, 2005, 41 ( 1 ) : 111 - 118.
  • 5Fischer N, KlapOtke T M, Lux K, et al. Inorganic amino-nitro- guanidinium derivatives [J ], Crystals, 2012, 2 (2) : 675-689.
  • 6Kissinger H E. Reaction kinetics in differential thermal analysis [J]. Analytical Chemistry, 1957, 29(11): 1702-1706.
  • 7Ozawa T. A new method of analyzing thermogravimetric data J ]. Bulletin of The Chemical Society of Japan, 1965, 38 ( 11 ) : 1881 -1886.
  • 8Najafi M, Samangani A K. Non-isothermal kinetic study of the thermal decomposition of melamine 3-nitro-1,2,4-triazol-5-one salt[ J ]. Propellants, Explosives, Pyrotechnics, 2011 , 36 (6) : 487-492.
  • 9Kamlet-Jacobs M J, Jacobs S J. A simple method for calculating detonation properties of CHNO explosives[ J ]. Journal of Physi- cal Chemistry, 1968, 48(1 ) : 23-35.
  • 10Thottempudi V, Shreeve J M. Synthesis andpromising properties of a new family of high-density energetic Salts of 5-nitro-3-trini- tromethyl-1 H-1 , 2,4-triazole and 5,5 '-bis ( trinitromethyl ) -3,3 '- azo-1 H-1 ,2,4- triazole [ J ]. Journal of the American Chemical Society, 2011, 133(49): 19982-19992.

引证文献2

二级引证文献7

;
使用帮助 返回顶部