CHINESE JOURNAL OF ENERGETIC MATERIALS
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Simulation on the Properties of TMETN/NG Mixed-plasticizers/NC Blends
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(1. Xi′an Modern Chemistry Research Institute, Xi′an 710065, China; 2. School of Chemical Engineering, Northwest University, Xi′an 710069, China)

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    Abstract:

    To explore the effect of interactions between insensitive high energy mixed-plasticizers and energetic binders on the system, taking nitrocellulose(NC) as binder, five kinds of blending models which contain 2-methyl-2-propane-1, 3-diyl dinitrate(TMETN), nitroglycerin(NG), and three kinds of TMETN/NG mixed-plasticizers with different mass ratio were constructed. The interactions, mechanical properties, radial distribution functions, and maximum trigger bond(O—NO2) length (Lmax)etc. parameters for each blending system were simulated by molecular dynamics method using Materials studio software. Results show that the binding energy of blending system is decreased when the content of TMETN is increased in the blending models. The mechanical properties of blending model containing mixed-plasticizers are better than those of blending model of single component plasticizer. When the mass ratio of NG to TMETN is 3:1, two kinds of nitrate plasticizers can establish strong hydrogen bond interactions with NC at the same time, and provide higher modulus and lower maximum trigger bond length for blending system, revealing that adjusting the mass ratio of mixed-plasticizers can enhance the interactions between compositions of each system thus the mechanical properties and stability of trigging bond of the blending system are improved.

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陈京,刘萌,何琦文,等. TMETN/NG混合增塑剂及NC共混体系的性能模拟[J].含能材料,2018,26(6):483-488.
CHEN Jing, LIU Meng, HE Qi-wen, et al. Simulation on the Properties of TMETN/NG Mixed-plasticizers/NC Blends[J]. Chinese Journal of Energetic Materials,2018,26(6):483-488.

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History
  • Received:October 21,2017
  • Revised:December 27,2017
  • Adopted:
  • Online: June 20,2018
  • Published: June 25,2018