Comparative analysis of detonation velocity in determining product composition for high energetic molecules using stoichiometric rules

화학 양론적 규칙으로 고에너지 물질의 폭발 생성물 조성 결정에 따른 폭발속도 비교분석

  • Received : 2017.11.02
  • Accepted : 2017.11.22
  • Published : 2017.12.25


High energetic materials (HEMs) have been used in fuels, civil engineering and architecture as well as military purposes such as explosives and propellants. The essential process for the development of new energetic compounds is to accurately calculate its detonation performances. The most typical equation for calculating the explosive performance is the Kamlet-Jacobs (K-J) equation. In the K-J equation, the parameter such as the number of moles of gaseous products at the explosion, the average molar mass of gas products, and the explosion heat greatly affect the explosion performance. These depend on the product composition for the detonation reaction. In this study, detonation products of 65 high energetic molecules (HEMs) were calculated from the various rules such as Kamlet-Jacobs, Kistiakowsky-Wilson, modified Kistiakowsky-Wilson, Springall-Roberts rules to calculate more accurate detonation velocity (Dv). In addition, they were applied to five kinds of detonation velocity equations proposed by K-J, Rothstein, Xiong, Stine and Keshavarz. The mean absolute error and root mean square error of HEMs were obtained from experimental and calculated velocity value for each method. The K-J and Xiong equation that is slightly complex showed a lower mean absolute error than the simple Rothstein and Keshavarz equation. When the mod-KW rule was applied to the Xiong equation, the detonation velocities were the most accurate. This study compared the various method of calculating the detonation velocity of HEMs to obtain accurate HEMs performance.


  1. M. J. Kamlet and S. J. Jacobs, J. Chem. Phys., 48(1), 23-35 (1968).
  2. P. Politzer and J. S. Murray, Cent. Eur. J. Energ. Mater., 11(4), 459-474 (2014).
  3. H. Shekhar, Cent. Eur. J. Energ. Mater., 9(1), 39-48 (2012).
  4. R. Meyer, J. Kohler and A. Homburg, In 'Explosives', WILEY-VCH, 2007.
  5. P. Politzer and J. S. Murray, Cent. Eur. J. Energ. Mater., 8(3), 209-220 (2011).
  6. M. H. Keshavarz, A. Zamani and M. Shafiee, Propellants Explos. Pyrotech., 39(5), 749-754 (2014).
  7. J. Akhavan, In 'The chemistry of explosives', 2nd Ed., Royal Socierty of Chemistry, Cambridge, U.K., 2011.
  8. L. R. Rothstein and R. Petersen, ADA 062265, Naval Weapon Station, (1978).
  9. W. Xiong, J. Ener. Mater, 3(4), 263-277 (1985).
  10. J. R. Stine, J. Ener. Mater, 8(1-2), 41-73 (1990).
  11. M. H. Keshavarz, R. T. Mofrad, R. F. Alamdari, M. H. Moghadas, A. R. Mostofizadeh and H. Sadeghi, J. Hazard. Mater., 137(3), 1328-1332 (2006).