Two dimensional analysis between the performance and the sensitivity of methylnitroimidazole derivatives

메틸나이트로이미다졸 유도체의 성능-감도 이차원적 분석

  • Rim, One Kwon (The 4thR&D Institute, Agency for Defense Development (ADD), Korea Department of Weapon System Engineering, University of Science & Technology (UST))
  • 임완권 (국방과학연구소 4본부 과학기술연합대학원대학교 무기체계공학과)
  • Received : 2015.10.05
  • Accepted : 2015.12.01
  • Published : 2015.12.25


Two-dimensional analysis between the explosive performance and the impact sensitivity for methylnitroimidazole derivatives was performed to understand where these new energetic molecules could be utilized. The explosive performance was analyzed with the Cheetah program, while the impact sensitivity was predicted using neural network analysis. Successive nitration of methylimidazole made the molecule more sensitive, but methyltrinitroimidzole appeared to have a relatively good safety characteristic. We recently developed a novel method to analyze the potential usage of new energetic molecules using a two-dimensional chart, where the explosive performance and the impact sensitivity were located on the X-axis and Y-axis, respectively. An analysis of a two-dimensional plot between the performance and the sensitivity indicated that methyldinitroimidazole would be useful for insensitive explosive formulations, while methyltrinitroimidazole was forecasted for use as an ingredient for high explosive formulations.


Explosive performance;Impact sensitivity;Cheetah program;Neural network;Methylnitroimidazole


  1. S. G. Cho, K. T. No, E. M. Goh, J. K. Kim, J. H. Shin, Y. D. Joo, and S. Seong, Bull. Korean Chem. Soc., 26, 399-408 (2005).
  2. M. J. Frisch et al., Gaussian 03, Revision D.02, Gaussian, Inc., Wallinford, CT, 2004.
  3. M. B. Talawar, R. Sivabalan, M. Anniyappan, G. M. Gore, S. N. Asthana, and B. R. Gandhe, Combust., Expl., Shock Waves, 43, 62-72 (2007).
  4. S.G. Cho, ‘A Systematic Procedure to Predict Explosive Performance and Sensitivity of Novel High-Energy Molecules in ADD, ADD Method-1’ In ‘Handbook of Material Science Research’, p431, C. Rene, E. Turcotte, Eds., Nova Science Publishers, New York, 2010.
  5. T. P. Liddiard and D. Price, ‘The Expanded Large Scale Gap Test’, NSWC TR 86-32, Naval Surface Weapons Center, MD, 1987.
  6. B. M. Dobratz and P. C. Crawford, ‘LLNL Explosives Handbook. Properties of Chemical Explosives and Explosive Simulants’, Lawrence Livermore National Loboratoty, Livermore, CA, 1985.
  7. S. Gordon and B. J. McBride, ‘Computer Program for Calculation of Complex Chemical Equilibrium Compositions, Rocket Performance, Incident and Reflected Shocks, and Chapman-Jouguet Detonations’, NASA SP-273, National Aeronautics and Space Adminstration, Washinton, D.C., 1976.
  8. S. Borman, S. Chem. & Eng. News, Jan. 17, 18-22 (1994).
  9. J. P. Agrawal, Progress Energy Combust. Sci., 24, 1-30 (1998).
  10. P.-A. Persson, R. Holmberg and J. Lee, ‘Rock Blastings and Explosives Engineering’, CRC Press, Boca Raton, FL, 1993.
  11. O.K. Rim, Anal. Sci. Technol., 28, 347-352 (2015).
  12. L. E. Fried, W. M. Howard and P. C. Souers, ‘Cheetah 2.0 User Manual’, Lawrence Livermore National Laboratory Report UCRL MA 117541 Rev. 5, 1998.
  13. R. Meyer, J. Kohler and A. Homberg, ‘Explosives’, 5th Ed., Wiley-VCH, Weinhelm, Germany, 2002.
  14. P. Ravi, G. M. Gore, S. P. Tewari and A. K. Skider, J. Energ. Mat., 29, 209-227 (2011).
  15. J. R. Cho, K. J. Kim, S. G. Cho and J. K. Kim, J. Heterocyclic Chem., 39, 141-147 (2002).
  16. X. Su, X. Cheng, C. Meng and X. Yuan, J. Hazard. Mater., 161, 551-558 (2009).
  17. S. K. Lee, S. G. Cho, J. S. Park, Y. Y. In and K. T. No, Bull. Korean Chem. Soc., 33, 855-861 (2012).
  18. C. B. Storm, J. R. Stine, J. F. Kramer, Sensitivity Relationships in Energetic Materials. LA-UR-89-2936, Los Alamos Nat. Lab., NM, 1989.
  19. H. Nefati, J.-M. Cense, J.-J. Legendre, J. Chem. Inf. Comput. Sci., 36, 804-810 (1996).