Journal of the Korea Institute of Military Science and Technology (한국군사과학기술학회지)

The Korea Institute of Military Science and Technology (한국군사과학기술학회)
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Predictive Analysis on Explosive Performance and Sensitivity of 1-Substituted Trinitroimidazoles

트리나이트로이미다졸 치환체들의 화약성능 및 감도 예측 분석

  • Jeon, Yeongjin (Department of Weapon Systems Engineering, University of Science and Technology) ;
  • Kim, Hyoun-Soo (Department of Weapon Systems Engineering, University of Science and Technology) ;
  • Kim, Jin Seuk (The 4th Research and Development Institute, Agency for Defense Development) ;
  • Cho, Soo Gyeong (Department of Weapon Systems Engineering, University of Science and Technology)
  • 전영진 (과학기술연합대학원대학교 무기체계공학과) ;
  • 김현수 (과학기술연합대학원대학교 무기체계공학과) ;
  • 김진석 (국방과학연구소 제4기술연구본부) ;
  • 조수경 (과학기술연합대학원대학교 무기체계공학과)
  • Received : 2017.02.03
  • Accepted : 2017.07.21
  • Published : 2017.08.05
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Abstract

Various chemical properties including density and heat of formation of 1-substitued trinitroimidazoles (TNIs) were estimated by using density functional theory (DFT). Using chemical properties estimated by DFT, explosive performance and sensitivity of 1-substitued TNIs were analyzed by following the ADD Method-1 procedure. The results were displayed on two-dimensional performance-sensitivity plot, and were compared with those of explosive molecules commonly used in many military systems. Different 1-substituents of TNI made that both explosive performance and impact sensitivity were changed significantly. Methyl substituted TNI became moderately insensitive and slightly less powerful. Amino, fluoro, picryl, and difluoroamino substituted TNIs were highly powerful like RDX and HMX, but greatly sensitive. Nitro substituted TNI was predicted to be extremely sensitive to be handled as a secondary explosive.

Keywords

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