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  2015 

二硝酰胺铵热分解机理的理论研究进展

DOI: 10.11943/j.issn.1006-9941.2015.09.002

Keywords: 含能材料 二硝酰胺铵(ADN) 二硝酰胺酸(HDN) 第一性原理 热分解 绿色推进剂

Full-Text   Cite this paper   Add to My Lib

Abstract:

介绍了二硝酰胺铵(ADN)热分解反应的基本性质。总结了ADN分解反应的理论研究结果。分析了溶剂对DN-模型中ADN分解行为的影响, 比较了二硝酰胺酸(HDN)、二硝酰胺酸二聚体(HDN2)及其二硝酰胺铵二聚体(ADN2)簇模型中不同质子转移异构体分解的优势路径, 以及分子内和分子间双质子转移过程对不同异构体的形成和分解反应的影响。讨论了微量水在(H2O)n…NH4+[ON(O)NNO2]-(n =1, 2, 3)和ADN2簇模型中对ADN反常分解行为的原因。不同理论模型在一定程度上揭示了ADN分解反应的本质, 在较大ADNn簇中获得的动力学参数与实验结果吻合更好。研究认为, 对ADN体系分解产生的各中间体之间的交叉反应以及将QM-MM方法用于较大ADNn簇和溶剂化模型的研究, 对理解ADN复杂分解反应以及获得其应用过程所涉及的相关热力学和动力学参数具有重要作用

References

[1]  Yang R, Thakre P, Yang V.Thermal decomposition and combustion of ammonium dinitramide (review)[J].Combustion, Explosion, and Shock Waves, 2005,41(6): 657-679.
[2]  Bormann S.Advanced energetic materials emerge for military and space applications[J].Chemical & Engineering News.1994,72(3):18-22.
[3]  Oxley J C, Smith J L, Zhang W, et al.Thermal decomposition studies on ammonium dinitramide (ADN) and 15N and 2H isotopomers[J].The Journal of Physical Chemistry A, 1997,101(29): 5646-5652.
[4]  Kazakov A I, Rubtsov Y I, Manelis G B.Kinetics and mechanism of thermal decomposition of dinitramide[J].Propelants, Explosives, Pyrotechnics, 1999,24(1): 37-42.
[5]  Sergey V, Charles A W.Model-free and model fitting approaches to kinetic analysis of iso-thermal data[J].Thermochimica Acta, 1999,340-341: 53-68.
[6]  Brill T B, Brush P J, Patil D G.Thermal decomposition of energetic materials: Chemistry of ammonium nitrate and ammonium dinitramide near the burning surface temperature[J].Combustion and Flame, 1993,92(1-2): 178-186.
[7]  Rossi M J, Bottaro J C, McMillen D F.The thermal decomposition of the new energetic material ammonium dinitramide (NH4N(NO2)2) in relation to nitramide (NH2NO2) and NH4NO3 [J].International Journal of Chemical Kinetics, 1993,25(7): 549-570.
[8]  Russell T P, Piermari G J, Block S, et al.Pressure, temperature reaction phase diagram for ammonium dinitramide[J].Journal of Physical Chemistry, 1996,100(8): 3248-3251.
[9]  Vyazovkin S, Wight C A.Thermal decomposition of ammonium dinitramide at moderate and high temperatures[J].Journal of Physical Chemistry A, 1997,101(39): 7217-7221.
[10]  Andreev A B, Anikin O V, Ivanov A P, et al.Stabilization of ammonium dinitramide in the liquid phase[J].Russian Chemical Bulletin, 2000,49(12): 1974-1976.
[11]  Korobeinichev O P, Bolshova T A, Paletsky A A.Modeling the chemical reactions of ammonium dinitramide (ADN) in a flame[J].Combustion and Flame, 2001,126(1/2): 1516-1523.
[12]  Mishra I B, Russell T P.Thermal stability of ammonium dinitramide[J].Thermochimica Acta, 2002,384(1-2): 47-56.
[13]  Lbbecke S, Keicher T, Krause H, et al.The New energetic material ammonium dinitramide and its thermal decomposition behavior[J].Solid State Ionics, 1997,101/103(2): 945-951.
[14]  万代红, 府勤, 黄洪勇,等.燃速催化剂对ADN的热分解作用[J].火炸药学报, 2006,29(2): 72-75.WAN Dai-hong, FU Qin, HUANG Hong-yong ,et al.The effects of combustion catalyst on the thermal decomposition of ADN[J].Explosives & Propellants, 2006,29(2): 72-75.
[15]  Amrousse R, Fujisato K, Habu H, et al.Catalytic decomposition of ammonium dinitramide (ADN) as high energetic material over CuO-based catalysts[J].Catalysis Science Technology, 2013,3(10): 2614-2619.
[16]  Highsmith T K, Hinshaw C J, Wardle R B.Propellant formulations based on dinitramide salts and energetic binders US: 5,741,998[P], 1998.
[17]  Pak Z.Some ways to higher environmental safety of solid rocket propellant application[C] ∥29th Joint Propulsion Conference.CA, AIAA Paper 93-1755.Monterey: 1993.
[18]  Rahm M.Green Propellants [D].Stockholm :KTH Chemical Science and Engineering, 2010.
[19]  Zhu R S, Chen H L, Lin M C.Mechanism and Kinetics for Ammonium Dinitramide (ADN) Sublimation: A First-Principles Study[J].Journal of Physical Chemistry A, 2012,116(44): 10836-10841.
[20]  Rahm M, Brinck T.The anomalous solid state decomposition of ammonium dinitramide: a matter of surface polarization[J].Chemical Communications, 2009 (20): 2896-2898.
[21]  Rahm M, Brinck T.Novel 1,3-dipolar cycloadditions of dinitraminic acid: implications for the chemical stability of ammonium dinitramide[J].Journal of Physical Chemistry A, 2008,112(11): 2456-2463.
[22]  Rahm M, Brinck T.On the anomalous decomposition and reactivity of ammonium and potassium dinitramide[J].Journal of Physical Chemistry A, 2010,114(8):2845-2854.
[23]  Rahm M, Brinck T.Kinetic stability and propellant performance of green energetic materials[J].Chemistry A European Journal, 2010,16(22): 6590-6600.
[24]  Rahm M, Trinchero A, Brinck T.Envisioning new high energy density materials: stability, detection and performance, in: energetic materials for high performance, insensitive munitions and zero pollution[C]∥41st Int.Annu.Conf.ICT, Karlsruhe, Germany, V9:1-11,2010.
[25]  Shlyapochnikov V A, Tafipolsky M A, Tokmakov I V, et al.On the structure and spectra of dinitramide salts[J].Journal of Molecular Structure: Theochem, 2001,559(1-3): 147-166.
[26]  Alavi S, Thompson D L.Proton transfer in gas-phase ammonium dinitramide clusters[J].Journal of Chemical Physics, 2003,118(6):2599-2605.
[27]  Sorescu D C, Thompson D L.Classical and quantum mechanical studies of crystalline ammonium dinitramide[J].Journal of Physical Chemistry B, 1999,103(32):6774-6782.
[28]  Alavi S, Thompson D L.Decomposition pathways of dinitramic acid and the dinitramide ion [J].Journal of Chemical Physics, 2003,119(1): 232-240.
[29]  Rahm M, Brinck T.Dinitraminic acid (HDN) isomerization and self-decomposition revisited[J].Chemical Physics, 2008,348(1-3): 53-60.
[30]  Velardez G F, Alavi S, Thompson D L.Molecular dynamics studies of melting and liquid properties of ammonium dinitramide[J].Journal of Chemical Physics, 2003,119(13): 6698-6708.
[31]  Badgujar D M, Talawar M B, Asthana S N, et al.Advances in science and technology of modern energetic materials: An overview[J].Journal of Hazardous Materials, 2008,151(2-3): 289-305.
[32]  姜小存, 刘肖, 司燕,等.瑞典ADN基单组元液体绿色推进器的研究进展[J].飞航导弹, 2012 (6): 79-83.JANG Xiao-cun, LIU Xiao, SI Yan, et al.Progress in the green propellant based on ADN’s liquid monopropellants in Sweden[J].Journal of Winged Missiles, 2012 (6): 79-83.
[33]  赵凤起, 杨栋, 蔡炳源,等.ADN的热分解及其推进剂燃烧研究的最新进展[J].含能材料, 1999,7(4):149-151.ZHAO Feng-qi, YANG Dong, CAI Bing-yuan, et al.Advances in study of thermal decomposition of ammonium dinitramide and combustion of adn propellants[J].Chinese Journal Energetic Materials(Hanneng Cailiao), 1999,7(4):149-151.
[34]  陈兴强 ,张志勇, 滕奕刚,等.可用于替代肼的2种绿色单组元液体推进剂HAN、ADN[J].化学推进剂与高分子材料, 2011,9(4): 63-66.CHEN Xing-qiang, ZHANG ZHi-yong, TENG Yi-gang, et al.Two kinds of green liquid monopropellants HAN, ADN for replacing hydrazine [J].Chemical Propellants & Polymeric Materials, 2011,9(4): 63-66.
[35]  赵凤起, 李上文, 刘子如,等.俄罗斯二硝酰胺铵(ADN)的热分解研究[J].飞航导弹, 1998 (10): 50-54.ZHAO Feng-qi, LI Shang-wen, LIU Zi-ru, et al.Study on the thermal decomposition of ammonium dinitramide[J].Journal of Winged Missiles, 1998 (10): 50-54.
[36]  Kazakov A I, Rubtsov Yu I, Andrienko L P, et al.Kinetics of the thermal decomposition of dinitramide.3.Kinetics of the heat release at ADN thermolysis in the liquid phase[J].Russian Chemical Bulletin, 1998,47(3): 379-385.
[37]  Politzer P, Seminario J.Computational study of the structure of dinitraminic acid, HN(NO2)2, and the energetics of some possible decomposition steps[J].Chemical Physics Letters, 1993,216(3-6):348-352.
[38]  Horst H.Krause.New Energetic Materials [M].In: Energetic Materials.Ulrich Teipel (Ed.) WILEY-VCH Verlag GmbH & Co.KGaA, Weinheim.2005, Chapter 1: 1-25.
[39]  Krautle K J, Atwood A J.The reaction of ammonium dinitramide under thermal load[C] ∥29th JANNAF Combust.Subcommittee Meeting, CPIA Publ, 199 2, IV(593): 157.
[40]  Butcher R J, Gilardi R D.A new class of flexible energetic salts.Part 2: The crystal structures of the cubane-1,4-diammonium dinitramide and cubane-1,2,4,7-tetraammonium dinitramide salts[J].Journal of Chemical Crystallography, 1998,28(2): 95-104.
[41]  Lbbecke S, Krause H H, Pfeil A.Thermal analysis of ammonium dinitramide decomposition[J].Propellants Explosives Pyrotechnics, 1997,22(3):184-188.
[42]  Tompa A S.Thermal analysis of ammonium dinitramide (ADN)[J].Thermochimica Acta, 2000,357-358:177-193.
[43]  王晓红, 张皋, 赵凤起,等.DSC/TG-FTIR-MS联用技术研究ADN热分解动力学和机理[J].固体火箭技术, 2010,33(5): 554-559.WANG Xiao-hong, ZHANG Gao, ZHAO Feng-qi, et al.Research on the kinetics and mechanism of the thermal decomposition of ADN via DSC/TG-MS-FTIR[J].Solid Rocket Technology, 2010,33(5): 554-559.
[44]  Tompa A S, Boswell R F, Skahan P, et al.Low/high temperature relationships in dinitramide salts by DEA/DSC and study of oxidation of aluminum powders by DSC/TG[J].Journal of Thermal Analysis, 1997,49(3): 1161-1170.
[45]  Langlet A, Wingborg N, Ostmart H.ADN: A new and promising oxidizer for composite rocket propellants[M].Kuo K K (ed.), Challenges in Propellants and Combustion: 100 Years after Nobel, Begell House, New York, 1997: 616-626.
[46]  徐容, 聂福德, 刘春,等.ADN的热分解性能研究[J].含能材料, 2000,8(4): 175-177.XU Rong, NIE Fu-de, LIU Chun, et al.Research of ammonium dinitramide decomposition[J].Chinese Journal of Energetic Materials(Hanneng Cailiao), 2000,8(4):175-177.
[47]  Vyazovkin S, Wight C.Ammonium dinitramide: Kinetics and mechanism of thermal decomposition[J].Journal of Physical Chemistry, 1997,101(31):5653-5658.
[48]  Korobeinichev O, Shmakov A, Paletsky A.Thermal decomposition of ammonium dinitramide and ammonium nitrate [C] ∥28th Int.Annu.Conf.of ICT, Karsruhe, Germany: 1997.
[49]  Babkin S B, Pavlov A, Nazin G M.Anomalous decomposition of dinitramide metal salts in the solid phase[J].Russian Chemical Bulletin, 1997,46(11):1844-1847.
[50]  Dubovitskii F I, Volkov G A, Grebennikov V N, et al.Thermal decomposition of potassium dinitramide in the liquid state[J].Doklady Akademii nauk.Rossijskaa Academia Nauk, 1996,347(6): 763-765.
[51]  Pavlov A N, Grebennikov V N, Nazina L D, et al.Thermal decomposition of ammonium dinitramide and mechanism of anomalous decay of dinitramide salts[J].Russian Chemical Bulletin, 1999,48(1): 50-54.
[52]  Manelis G B.Thermal decomposition of dinitramide ammonium salt [C] ∥26th Int.Ann.Conf.ICT, Karlsruhe: FRG, German, 1995: 15.1-15.17.
[53]  Vyazovkin S, Wight C.Isothermal and non-isothermal reaction kinetics in solids: In search of ways toward consensus[J].Journal of Physical Chemistry A, 1997,101(44): 8279-8284.
[54]  Ritchie J P, Zhurova E A, Martin A, et al.Dinitramide ion: robust molecular charge topology accompanies an enhanced dipole moment in its ammonium salt[J].Journal of Physical Chemistry B, 2003,107(51):14576-14589.
[55]  Kazakov A I, Rubtsov Yu I, Manelis G B, et al.Kinetics of the thermal decomposition of dinitramide.1.The decomposition of different forms of dinitramide[J].Russian Chemical Bulletin, 1997,46(12):2015-2020.
[56]  Galwey A K, Brown M E.Thermal Decomposition of Ionic Solids [M].Amsterdam :Elsevier, 1999: 415-435,.
[57]  Alavi S, Thompson D L.Theoretical study of proton transfer in ammonium nitrate clusters[J].Journal of Chemical Physics, 2002,117(6), 2599-2608.
[58]  Lei M, Zhang Z Z, Kong Y H, et al.The thermal behavior of potassium dinitramide.Part 1.Thermal stability[J].Thermochimica Acta, 1999,335(1-2): 105-112.
[59]  Rahm M, Dvinskikh S V, Furo I, et al.Experimental detection of trinitramide, N(NO2)3[J].Angewandte Chemie International Edition, 2011,50(5):1145-1148.
[60]  Korobeinichev O P, Kuibida L V, Paletsky A A, et al.Molecular-beam mass-spectrometry to ammonium dinitramide combustion chemistry studies[J].Journal of Propulsion and Power, 1998,14(6): 991-1000.
[61]  Giles J.Green explosives: Collateral damage[J].Nature, 2004,427(6975): 580-581.
[62]  Larsson A, Wingborg N.Green Propellants Based on Ammonium Dinitramide (ADN).Advances in Spacecraft Technologies[M].Dr Jason Hall (Ed).InTech, 2011: 139-156.
[63]  Wingborg N, Flon J de, Johnson C, et al.Green Propellants Based on ADN (Space Propulsion 2008)[C]∥Heraklion, Crete, Greece.ESA, 3AF, SNPE: 2008.
[64]  Talawar M B, Sivabalan R, Anniyappan M, et al.Emerging trends in advanced high energy materials[J].Combustion, Explosion and Shock Waves, 2007,43(1): 62-72.
[65]  李晓东, 杨荣杰.碳纳米管催化二硝酰胺铵燃烧和热分解[J].新型炭材料, 2010,25(6): 444-451.LI Xiao-dong, YANG Rong-jie.Combustion and thermal decomposition of ammoniumdinitramide catalyzed by carbon nanotubes[J].New Carbon Materials, 2010,25(6): 444-451.
[66]  Rahm M, Westlund R, Eldster C, et al.Tri-block copolymers of polyethylene glycol and hyperbranched poly-3-ethyl-(hydroxymethyl)oxetane through cationic ring opening polymerization[J].Journal of Polymer Science Part A: Polymer chemistry, 2009,47(22): 6191-6200.
[67]  Velardez G F, Alavi S, Thompson D L.Theoretical predictions of the initial decomposition steps of dimethylnitramine[J].Journal of Chemical Physics, 2005,123(7): 074313.
[68]  Michels H H, Montgomery Jr J A.On the structure and thermochemistry of hydrogen dinitramide[J].Journal of Physical Chemistry, 1993,97(25): 6602-6606.
[69]  Politzer P, Seminario J M, Concha M C.Energetics of ammonium dinitramide decomposition steps[J].Journal of Molecular Structure: Theochem, 1998,427(1-3): 123-129.
[70]  Lin M C, Park J.Thermal decomposition of gaseous ammonium dinitramide at low pressure: Kinetic modeling of product formation with ab initio MO/VRRKM calculations[C] ∥Proc.27th Symp.(Int.) on the Combustion.Vol 2, The Combustion Inst., Pittsburgh, 1998: 2351-2357.
[71]  Mebel A M, Lin M C, Morokuma K, et al.Theoretical study of the gas-phase structure, thermochemistry, and decomposition mechanisms of NH4NO2 and NH4N(NO2)[J].Journal of Physical Chemistry, 1995,99(18): 6842-6848.
[72]  Lukyanov O A, Anikin O V, Gorelik V P, et al.Dinitramide and its salts: Metallic salts of dinitramide[J].Russian Chemical Bulletin, 1994,43(9):1457-1461.
[73]  Lukyanov O A, Agevnin A R, Leichenko A A, et al.Dinitramide and its salts: Dinitramide salts derived from ammonium bases[J].Russian Chemical Bulletin, 1995,44(1):108-112.
[74]  Gilardi R D, Flippen-Anderson J, George C, et al.A new class of flexible energetic salts: the crystal structures of the ammonium, lithium, potassium, and cesium salts of dinitramide[J].Journal American Chemical Society, 1997,119(40): 9411-9416.
[75]  Gilardi R D, Butcher R J.A new class of flexible energetic salts.Part 4: The crystal structures of hexaaquomagnesium (Ⅱ), hexaaquomanganese (Ⅱ), and hexaaquozinc (Ⅱ) dihydrate salts of dinitramide[J].Journal of Chemical Crystallography, 1998,28(2): 105-110.

Full-Text

Contact Us

service@oalib.com

QQ:3279437679

WhatsApp +8615387084133