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含能材料  2014 

HTPB推进剂老化机理的分子模拟

DOI: 10.3969/j.issn.1006-9941.2014.03.004

Keywords: 高分子化学,老化机理,降解,氧化交联,分子模拟

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Abstract:

为了研究HTPB推进剂的老化机理,采用量子化学方法,计算了端羟基聚丁二烯-甲苯二异氰酸酯(HTPB-TDI)固化体系中化学键的键能,搜索了HTPB推进剂老化过程中可能发生的四个氧化反应的过渡态。结果表明,与CH2基团相连的C—O键的键能最小,为244.95kJ·mol-1,在老化降解过程最容易发生断裂。老化过程中可能发生的四种氧化交联反应的活化能均较小,小于HTPB-TDI固化分子降解断裂所需要的能量,说明氧化交联反应是HTPB推进剂老化的主要原因,其中生成三元环氧反应的活化能最小,为12.59kJ·mol-1。

References

[1]  赵娜.固体推进剂准静态力学性能预测方法研究[D].武汉理工大学, 2008.ZHAO Na.Research on the method to predict the quasi-static mechanical property for solid propellant[D].Wuhan University of Technology, 2008.
[2]  杨根, 赵永俊, 张炜, 等.HTPB推进剂贮存期预估模型研究[J].固体火箭技术, 2006,29(4): 283-285.YANG Gen, ZHAO Yong-jun, ZHANG Wei, et al.Investigation on prediction model for storage life of HTPB propellants[J].Journal of Solid Rocket Technology, 2006,29(4): 283-285.
[3]  侯林法.复合固体推进剂[M].北京: 宇航出版社, 2001.HOU Lin-fa.Composite Solid Propellant[M].Beijing: Astronautic Publishing House, 2001.
[4]  张兴高, 张炜, 王春华, 等.HTPB聚氨酯材料的老化机理研究[J].合成材料老化与应用, 2009,38(3): 1-3.ZHANG Xing-gao, ZHANG Wei, WANG Chun-hua, et al.The aging mechanism of the HTPB polyurethane material[J].Synthetic Materials Aging and Application, 2009,38(3): 1-3.
[5]  张昊, 彭松, 庞爱民, 等.NEPE推进剂力学性能与化学安定性关联老化行为及机理[J].推进技术, 2008,28(3): 327-332.ZHANG Hao, PENG Song, PANG Ai-min, et al.Coupling aging behaviors and mechanism between mechanical properties and chemical stability of NEPE propellant[J].Journal of Propulsion Technology, 2008,28(3): 327-332.
[6]  Edward M K, Douglas M H.Polymer aging [R].LAUR003977: 2002,10.
[7]  Rachid H, Lussier L S, Ringuette S.On the correlation between miscibility and solubility properties of energetic plasticizers/polymer blends: Modeling and simulation studies[J].Propellants, Explosives, Pyrotechnics, 2008,33(4): 301-310.
[8]  施震灏, 刘子如, 陈智群, 等.DSC-FTIR联用研究HTPB/AP和HTPB/AP/Al体系的热分解[J].含能材料, 2007,15(2): 105-108.SHI Zhen-hao, LIU Zi-ru, CHEN Zhi-qun, et al.Thermal decomposition of HTPB/AP and HTPB/AP/Al studied by DSC-FTIR[J].Chinese Journal of Energetic Materials(Hanneng Cailiao), 2007,15(2): 105-108.
[9]  Cerri S, Bohn M A, Menke K, et al.Aging behaviour of HTPB based rocket propellant formulations[J].Central European Journal of Energetic Materials, 2009,6 (2): 149-165.
[10]  Ernst L J, Van′ t H C, Yang D G, et al.Mechanical modeling and characterization of the curing process of under fill materials[J].ASME Journal of Electronic Packaging, 2002,124(2): 97-105.
[11]  Johnson J L.Data collection requirements for quality evaluation (aging analysis) of energetic materials and methods[C]∥37th International Annual Conference of ICT, Karlsruhe, Germany: 2006.
[12]  Liau Y C, Yang V.Analysis of RDX monopropellant combustion with two-phase subsurface reactions[J].Journal of Propulsion and Power, 1995,11(4): 729-739.
[13]  张兴高, 张炜, 朱慧, 等.固体推进剂贮存老化研究进展[J].含能材料, 2008,16(2): 233-237.ZHANG Xing-gao, ZHANG Wei, ZHU Hui, et al.Review on the aging of solid propellants[J].Chinese Journal of Energetic Materials(Hanneng Cailiao), 2008,16(2): 233-237.
[14]  赵永俊, 张兴高, 张炜, 等.固体推进剂及其粘结界面贮存老化研究进展[J].火箭推进, 2008,34(3): 35-38.ZHAO Yong-jun, ZHANG Xing-gao, ZHANG Wei, et al.Review on the aging property of solid propellant and bonding interface abroad[J].Journal of Rocket Propulsion, 2008,34(3): 35-38.
[15]  刘志勇, 闫华, 刘海峰, 等.一种推进剂分解机理的量子化学方法分析[J].火工品, 2007(2): 17-21.LIU Zhi-yong, YAN Hua, LIU Hai-feng, et al.Analysis on the decomposition dechanism of a kind of propellant by quantum chemistry method[J].Initiators & Pyrotechnics, 2007(2): 17-21.
[16]  PENG Min, LIU Wei, YANG Guang, et al.Investigation of the degradation mechanism of cross linked polyethy leneimineby NMR spectroscopy[J].Polymer Degradation and Stability, 2008,93(2): 476-482.
[17]  付一政, 胡双启, 兰艳花, 等.HTPB/增塑剂玻璃化转变温度及力学性能的分子动力学模拟[J].化学学报, 2010,68(8): 809-813.FU Yi-zheng, HU Shuang-qi, LAN Yan-hua, et al.Molecular dynamics simulation on the glass transition temperature and mechanical properties of HTPB/Plasticizer blends[J].Acta Chimica Sinica, 2010,68(8): 809-813.
[18]  赵涛, 王庆海, 潘泳康.大豆油与过氧甲酸的环氧化动力学研究[J].化学世界, 2010(2): 91-95.ZHAO Tao, WANG Qing-hai, PAN Yong-kang.Kinetic studies on the epoxidation reaction of soybean oid and peroxyformic acid[J].Chemical World, 2010(2): 91-95.
[19]  李红霞, 强洪夫, 王广, 等.基于MD方法的增塑剂扩散行为的模拟研究[J].含能材料, 2009,17(1): 36-41.LI Hong-xia, QIANG Hong-fu, WANG Guang, et al.Molecular dynamics simulation of plasticizer diffusion[J].Chinese Journal of Energetic Materials(Hanneng Cailiao ), 2009,17(1): 36-41.
[20]  武文明, 张炜, 陈敏伯, 等.理论研究丁羟粘合剂化学键解离及其对力学性能的影响[J].化学学报, 2012,70(10): 1145-1152.WU Wen-ming, ZHANG Wei, CHEN Min-bo, et al.Theoretical investigation of the bond dissociation of hydroxyl terminated polybutadiene binder and effect on mechanical properties[J].Acta Chimica Sinica, 2012,70(10): 1145-1152.
[21]  李松年, 刘勇, 王罗新, 等.HTPB推进剂储存老化性能试验研究[J].推进技术, 2006,27(5): 473-476.LI Song-nian, LIU Yong, WANG Luo-xin, et al.Test study on storage aging properties of HTPB propellants[J].Journal of Propulsion Technology, 2006,27(5): 473-476.
[22]  王志强, 孙文晶, 储伟, 等.过氧化氢与苯乙烯环氧化的反应机理及溶剂效应[J].物理化学学报, 2011,27(2): 322-328.WANG Zhi-qiang, SUN Wen-jing, CHU Wei, et al.Reaction mechanism and solvent effects of styrene epoxidation with hydrogen peroxide[J].Acta Physico-Chimica sinica, 2011,27(2): 322-328.
[23]  张红梅, 张晗伟, 顾萍萍, 等.异丁烷热裂解反应机理的分子模拟[J].化工学报, 2012,63(10): 3138-3142.ZHANG Hong-mei, ZHANG Han-wei, GU Ping-ping, et al.Molecular simulation research on pyrolysis mechanism of isobutane[J], CIESC Journal, 2012,63(10): 3138-3142.
[24]  栗秀萍, 任强, 周涵.聚氯乙烯与丁腈橡胶交联反应的分子模拟[J].材料科学与工程学报, 2012,30(4): 581-825.LI Xiu-ping, REN Qiang, ZHOU Han.Molecular simulation on cross-linking reaction of PVC/NBR[J].Journal of Materials Science & Engineering, 2012,30(4): 581-825.

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