[1]李沙,常双君,陈星妍,等.不同组分比例的HMX/RDX混合物的热稳定性和力学性能研究[J].爆破器材,2024,53(06):33-40.[doi:10.3969/j.issn.1001-8352.2024.06.006]
　LI Sha,CHANG Shuangjun,CHEN Xingyan,et al.Thermal Stability and Mechanical Properties of HMX/RDX Mixtures with Different Component Proportions[J].EXPLOSIVE MATERIALS,2024,53(06):33-40.[doi:10.3969/j.issn.1001-8352.2024.06.006]
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不同组分比例的HMX/RDX混合物的热稳定性和力学性能研究()
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《爆破器材》[ISSN:1001-8352/CN:32-1163/TJ]

卷:
53
期数:
2024年06
页码:
33-40
栏目:
爆炸材料
出版日期:
2024-12-06

文章信息/Info

Title:
Thermal Stability and Mechanical Properties of HMX/RDX Mixtures with Different Component Proportions
文章编号:
5946
作者:
李沙; 常双君; 陈星妍; 鲁娜
中北大学环境与安全工程学院（山西太原，030051）
Author(s):
LI Sha;  CHANG Shuangjun;  CHEN Xingyan;  LU Na
School of Environmental and Safety Engineering, North University of China (Shanxi Taiyuan, 030051)
关键词:
HMX/RDX混合物; 热稳定性; 力学性能; 分子动力学(MD)模拟
Keywords:
HMX/RDX mixture;  thermal stability;  mechanical property;  molecular dynamics (MD) simulation
分类号:
TQ560.7; TJ510
DOI:
10.3969/j.issn.1001-8352.2024.06.006
文献标志码:
A
摘要:
为了研究不同组分比例的HMX/RDX混合物的热稳定性和力学性能，采用分子动力学（MD）方法对不同HMX/RDX混合物在不同温度下的引发键最大键长Lmax、内聚能密度EC和力学性能参数进行了计算；利用差示扫描量热法（DSC）测试了不同HMX/RDX混合物在升温速率为2、 5、 10、 20 K/min下的热分解性能，并采用EXPLO 5对不同HMX/RDX混合物的爆轰参数进行了理论计算。结果表明:HMX/RDX中HMX与RDX的质量比分别为90∶10、 80∶20、 70∶30时，随着温度升高，HMX/RDX混合物的Lmax逐渐增大，EC逐渐减小；其中，HMX90/RDX10的Lmax较小，EC较大，热感度较低。由DSC测试结果计算得到不同比例混合物的分解峰温Tp0和热爆炸临界温度Tb;其中,HMX90/RDX10的Tp0和Tb相对较高，分别为268.12 ℃和277.66 ℃，表明热稳定性较好。使用Forcite计算力学性能参数，HMX90/RDX10的拉伸模量E、体积模量K、切变模量G相对较大，表明硬度和断裂强度较大，力学性能相对较好。HMX90/RDX10的爆速、爆压和爆轰总能量分别为9 192.19 m/s、 38.43 GPa和10.98 kJ/cm3，能量相对较高。
Abstract:
The thermal stability and mechanical properties of HMX/RDX mixtures with different component proportions were studied. The maximum bond length Lmax, cohesive energy density EC , and mechanical properties of different HMX/RDX mixtures at different temperatures were calculated by molecular dynamics (MD) method. The thermal decomposition performance of different HMX/RDX mixtures was tested by differential scanning calorimetry (DSC) at heating rates of 2, 5, 10, and 20 K/min. And the detonation parameters of different HMX/RDX mixtures were theoretically calculated by EXPLO 5. The results show that when m(HMX)∶m(RDX) are 90∶10, 80∶20, and 70∶30, Lmax?of the HMX/RDX mixtures gradually increases and EC gradually decreases with increasing temperature.?Lmax and EC of HMX90/RDX10 are relatively small, with low thermal sensitivity and good thermal stability. The decomposition peak temperature Tp0?and thermal explosion critical temperature Tb of different mixtures were calculated based on DSC test results. Tp0?and Tb of HMX90/RDX10 are relatively high, which are 268.12 ℃ and 277.66 ℃ respectively, indicating good thermal stability. The mechanical property parameters were calculated by Forcite. The tensile modulus E, bulk modulus K, and shear modulus G?of HMX90/RDX10 are relatively high, with high hardness and fracture strength, and relatively good mechanical properties. The detonation velocity, detonation pressure, and total detonation energy of HMX90/RDX10 are 9 192.19 m/s, 38.43 GPa, and 10.98 kJ/cm3,respectively, indicating relatively high energy.

参考文献/References:

［1］GE N N, WEI Y K, JI G F, et al. Initial decomposition of the condensed β-HMX under shock waves: molecular dynamics simulations ［J］. Journal of Physical Chemistry B, 2012, 116(46): 13696-13704．
［2］朱伟, 刘冬梅, 肖继军, 等. 多组分高能复合体系的感度判据、热膨胀和力学性能的MD研究［J］. 含能材料, 2014, 22(5): 582-587.
ZHU W, LIU D M, XIAO J J, et al. Molecular dynamics study on sensitivity criterion,thermal expansion and mechanical properties of multi-component high energy systems ［J］. Chinese Journal of Energetic Materials, 2014, 22(5): 582-587.
［3］HAN G, GOU R J, REN F D, et al. Theoretical investigation into the influence of molar ratio on binding energy, mechanical property and detonation performance of 1, 3, 5, 7-tetranitro-1, 3, 5, 7-tetrazacyclo octane (HMX)/1-methyl-4, 5-dinitroimidazole (MDNI) cocrystal explosive［J］. Computational and Theoretical Chemistry, 2017, 1109: 27-35.
［4］刘冬梅, 赵丽, 肖继军, 等. 不同温度下HMX和RDX晶体的感度判别和力学性能预估: 分子动力学比较研究［J］. 高等学校化学学报, 2013, 34(11): 2558-2565.
LIU D M, ZHAO L, XIAO J J, et al. Sensitivity criterion and mechanical properties prediction of HMX and RDX crystals at different temperatures：comparative study with molecular dymamics simulation ［J］. Chemistry Journal of Chinese Universities, 2013, 34(11): 2558-2565.
［5］悦征, 李志华, 魏成龙, 等. HMX/RDX复合物细化与热分解特性研究［J］. 火工品, 2021(1): 39-42.
YUE Z, LI Z H, WEI C L, et al. Refining and thermal decomposition of HMX/RDX complex ［J］. Initiators & Pyrotechnics, 2021(1): 39-42.
［6］YE B S, GONG J, HU X Y, et al. Comparative investigation on the thermostability, sensitivity, and mechanical performance of RDX/HMX energetic cocrystal and its mixture［J］. Journal of Molecular Modeling, 2020, 26(7): 176.
［7］陶俊, 王晓峰, 赵省向, 等. CL20/HMX共晶与共混物的分子动力学模拟［J］.含能材料, 2016, 24(4): 324-330.
TAO J, WANG X F, ZHAO S X, et al. Molecular dynamics simulation of CL20/HMX cocrystal and blends［J］. Chinese Journal of Energetic Materials, 2016, 24(4): 324-330.
［8］ZHANG L, YU Y, XIANG M Z. A study of the shock sensitivity of energetic single crystals by large-scale ab initio molecular dynamics simulations［J］. Nanomaterials, 2019, 9(9): 1251.
［9］高杰, 王红星, 金大勇, 等. DNAN/DNIF二元共熔物在热和机械刺激下的安全性研究［J］. 爆破器材, 2021, 50(3): 35-39.
GAO J, WANG H X, JIN D Y, et al. Safety of DNAN/DNIF binary eutectic under thermal stimulation and mechanical stimulation ［J］. Explosive Materials, 2021, 50(3): 35-39.
［10］HANG G Y, YU W L, WANG T, et al. Theoretical investigations into effects of adulteration crystal defects on properties of CL-20/TNT cocrystal explosive ［J］. Computational Materials Science, 2019, 156: 77-83.
［11］赵宏安, 胡荣祖, 王喜军, 等. 1,3,3-三硝基氮杂环丁烷的热安全性［J］. 化学学报, 2009, 67(22): 2536-2540.
ZHAO H A, HU R Z, WANG X J, et al. Thermal safety of 1,3,3trinitroazetidine ［J］. Acta Chimica Sinica, 2009, 67(22): 2536-2540.
［12］胡荣祖, 赵凤起, 高红旭, 等.量热学基础与应用［M］. 北京: 科学出版社, 2011.
［13］杨犁, 余庚泽, 余晨, 等. 基于TKX50的PBXs含能材料力学性能计算模拟［J］. 实验技术与管理, 2021, 38(3): 61-68.
YANG L, YU G Z, YU C, et al. Computational simulation of mechanical properties of PBXs energetic materials based on TKX-50 ［J］. Experiment Technology and Management, 2021, 38(3): 61-68.
［14］孙婷, 肖继军, 赵锋, 等. CL-20/DNB共晶基PBXs兼容性、界面作用和力学性能的MD模拟［J］. 含能材料, 2015, 23(4): 309-314.
SUN T, XIAO J J, ZHAO F, et al. Molecular dynamics simulation of compatibility, interface interactions and mechanical properties of CL-20/DNB cocrystal based PBXs［J］. Chinese Journal of Energetic Materials, 2015, 23(4): 309-314.
［15］吴雄, 龙新平,何碧, 等. VLW爆轰产物状态方程［J］. 中国科学B辑:化学, 2008, 38(12): 1129-1132.
WU X, LONG X P, HE B, et al. VLW equation of state for detonation products ［J］. Science in China Series B: Chemistry, 2008, 38(12): 1129-1132.

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备注/Memo

备注/Memo:
收稿日期：2024-07-08
第一作者：李沙（1998—），女，硕士，主要从事装药质量的研究。E-mail：1790860876@qq.com
通信作者：常双君（1968—），女，博士，教授，主要从事含能材料的制备及应用。E-mail：junchsh@163.com
更新日期/Last Update: 2024-12-04