不同TMETN/NG配比对CMDB推进剂塑化特性的影响
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摘要
为了提高三羟甲基乙烷三硝酸酯(TMETN)对NC的增塑效果,通过分子动力学模拟不同TMETN/NG配比条件下推进剂体系的回旋半径、自由体积等参数,研究NG部分取代TMETN对CMDB推进剂塑化特性的影响,并通过固化实验以及机械感度测试对模拟结果进行验证。结果表明,在计算范围内,随着NG含量的增加,体系的回旋半径、自由体积均先减小后增加,体系的塑化能力也是先减小后增大,且当NG取代质量分数40%及以上的TMETN时能有效改善体系的增塑效果;推进剂中NG与TMETN质量比大于2∶3时,推进剂样品才能正常固化;NG与TMETN质量比控制在3∶2～4∶1时,既能保证CMDB推进剂固化均匀,又能降低推进剂的机械感度。
To improve the plasticizing effect of trimethylolethane trinitrate(TMETN)on NC,the cyclotron radius and free volume etc.parameters for propellant system under the conditions of different ratios of TMETN/NG was simulated by molecular dynamics. The effect of partly replacing TMETN with NG on the plasticizing characterizations of CMDB propellant was studied and the simulation results were validated by curing experiment and sensitivity test.Results show that within the calculation range,the cyclotron radius and free volume of the system decrease first and then increase with the increase of NG content.The plasticizing capacity of the system first reduces and then increases and when replacing TMETN of mass fraction as 40% with NG,the plasticizing effect of the system can be effectively improved.The propellant samples can be cured only when the mass ratio of NG and TMETN in the propellant is greater than 2∶3.When the mass ratio of NG and TMETN is controlled at 3∶2-4∶1,it can not only guarantee the uniform curing of CMDB propellant,but also reduce the mechanical sensitivity of the propellant.
To improve the plasticizing effect of trimethylolethane trinitrate(TMETN)on NC,the cyclotron radius and free volume etc.parameters for propellant system under the conditions of different ratios of TMETN/NG was simulated by molecular dynamics. The effect of partly replacing TMETN with NG on the plasticizing characterizations of CMDB propellant was studied and the simulation results were validated by curing experiment and sensitivity test.Results show that within the calculation range,the cyclotron radius and free volume of the system decrease first and then increase with the increase of NG content.The plasticizing capacity of the system first reduces and then increases and when replacing TMETN of mass fraction as 40% with NG,the plasticizing effect of the system can be effectively improved.The propellant samples can be cured only when the mass ratio of NG and TMETN in the propellant is greater than 2∶3.When the mass ratio of NG and TMETN is controlled at 3∶2-4∶1,it can not only guarantee the uniform curing of CMDB propellant,but also reduce the mechanical sensitivity of the propellant.
引文
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[2] 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,2008,151:289-305.
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[4]庞爱民,郑剑.高能固体推进剂技术未来发展展望[J].固体火箭技术,2004,27(4):289-293.PANG Ai-min,ZHENG Jian.Prospect of the research and development of high energy solid propellant technology[J].Journal of Solid Rocket Technology,2004,27(4):289-293.
[5]庞维强,张教强,国际英,等.21世纪国外固体推进剂的研究与发展趋势[J].化学推进剂与高分子材料,2005,3(3):16-21.PANG Wei-qiang,ZHANG Jiao-qiang,GUO Ji-ying,et al.Research and development trends of solid propellants abroad in the 21st century[J].Chemical Propellants&Polymeric Materials,2005,3(3):16-21.
[6]赵凤起,徐司雨,仪建华,等.含TMETN的钝感推进剂燃烧特性数值模拟[J].含能材料,2006,14(6):406-410.ZHAO Feng-qi,XU Si-yu,YI Jian-hua,et al.Numerical simulation for combustion characteristics of insensitive propellant containing trimethylolethane trinitrate(TMETN)[J].Chinese Journal of Energetic Materials,2006,14(6):406-410.
[7] Oyymi Y,Kimura E,Insensitive munitious and combustion characteristics of GAP/AN composition propellant[J].Propellants,Explosives,Pyrotechnics,1996,121(5):271-276.
[8]石小兵,庞维强,蔚红建.钝感推进剂研究进展及发展趋势[J].化学推进剂与高分子材料,2007,5(2):24-32.SHI Xiao-bing,PANG Wei-qiang,WEI Hong-jian.Research progress and development trends of insensitive propellant[J].Chemical Propellants&Polymeric Materials,2007,5(2):24-32.
[9]赵凤起,杨栋,李上文,等.以NC和TMENT为基的微烟推进剂机械感度研究[J].火炸药学报,1999,22(4):5-8.ZHAO Feng-qi,YANG Dong,LI Shang-wen.Impact and friction sensitivity of minimum smoke propellant based on NC and TMETN[J].Chinese Journal of Explosives&Propellants(Huozhayao Xuebao),1999,22(4):5-8.
[10]赵凤起,陈沛,李上文,等.钾盐消焰剂与TMETN和燃烧催化剂相互作用的实验研究[J].含能材料,2001,9(3):100-103.ZHAO Feng-qi,CHEN Pei,LI Shang-wen,et al.Interaction of potassium salt flame suppressors with TMETN and burning catalysts during decomposition[J].Energetic Materials,2001,9(3):100-103.
[11]孟玲玲,齐晓飞,王江宁,等.DNTF对NC塑化特性的分子动力学模拟及实验研究[J].火炸药学报,2015,38(3):86-89.MENG Ling-ling,QI Xiao-fei,WANG Jiang-ning,et al.Molecular dynamics simulation and experimental study of DNTF on plasticizing properties of NC[J].Chinese Journal ofExplosives&Propellants(Huozhayao Xuebao),2015,38(3):86-89.
[12] Pan R,Liu X,Zhang A,et a1.Molecular simulation on structure property relationship of polyimides with methylene spacing groups in biphenyl side chain[J].Computation Materials Science, 2007, 39(4):887-895.
[13] Tang Q F,Fan X Z,Li J Z,et al.Experimental and theoretical studies on stability of new stabilizers for N-Methyl-P-nitroaniline derivative in CMDB propellants[J].Journal of Hazardous Materials,2017,327:187-196.
[14] Zhao Yu,Zhang Xiao-hong,Zhang Wei,et al.Simulation and experimental on the solvation interaction between the GAP matrix and insensitive energetic plasticizers in solid propellants[J].The Journal of Physical Chemistry A,2016,120,765-770.
[15] Chen P K,Yao L,Liu Y Y,et al.Experimental and theoretical study of dilute polyacrylamide solutions:effect of salt concentration[J].J Mol Model,2012,18:3153-3160.
[16] Liu Y Y,Chen P K,Luo J L,et al.Molecular simulation of dilute polyacrylamide solutions[J].Acta Phys Chim Sin,2010,26:2907-2914.
[17]齐晓飞,张晓宏,李吉祯,等.NC/NG共混体系的分子动力学模拟研究[J].兵工学报,2013,34(1):93-99.QI Xiao-fei,ZHANG Xiao-hong,LI Ji-zhen,et al.Molecular dynamics simulation of NC/NG blends[J].Acta Armamentarii,2013,34(1):93-99.
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[20]周成飞.聚氨酯自由体积及其对性能的影响[J].聚氨酯工业,2014,29(3):1-5.ZHOU Cheng-fei.The free volume of polyurethane and effect on its properties[J].Polyurethane Industry,2014,29(3):1-5.
[21]卓启疆.聚合物自由体积[M].成都:成都科技大学出版社,1990.
[22]倪凯,廖霞,赵雪燕,等.等规聚丙烯在户外老化过程中化学重结晶作用和自由体积变化的研究[J].塑料工业,2015,43(7):69-72.NI Kai,LIAO Xia,ZHAO Xue-yan,et al.Investigation on chemi-recrystallization and free volume changes of isotactic polypropylene during outdoor weathering[J].China Plastics Industry,2015,43(7):69-72.
[23] Fu Xiao-long,Fan Xue-zhong,Ju Xue-hai,et al.Molecular dynamic simulations on the interaction between an HTPE polymer and energetic plasticizers in a solid propellant[J].RSC Advances,2015,5:52844-52851.
[24]焦东明,杨月诚,强洪夫,等.铝粉氧化对端羟基聚丁二烯界面吸附影响的分子模拟[J].火炸药学报,2009,32(6):79-83.JIAO Dong-ming,YANG Yue-cheng,QIANG Hongfu,et al.Molecular simulation of effect of aluminum powder oxidation on interface adsorption for HTPB[J].Chinese Journal of Explosives&Propellants(Huozhayao Xuebao),2009,32(6):79-83.