Velocity of Detonation-A Mathematical Model

TÜRKER B. L.

ACTA CHIMICA SLOVENICA, vol.57, no.2, pp.288-296, 2010 (SCI-Expanded) identifier

  • Publication Type: Article / Article
  • Volume: 57 Issue: 2
  • Publication Date: 2010
  • Journal Name: ACTA CHIMICA SLOVENICA
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.288-296
  • Keywords: Detonation velocity, explosives, DFT calculations, regression analysis, nitramines, N-O EXPLOSIVES, SEMIEMPIRICAL METHODS, CONDENSED EXPLOSIVES, CHEMICAL-KINETICS, CHEMISTRY, PARAMETERS, OPTIMIZATION, EXCHANGE, DENSITY
  • Middle East Technical University Affiliated: Yes

Abstract

Based on the principles of conservation of energy and momentum, a mathematical formula has been derived for the squares of detonation velocities of a large set of explosives. The equation is a function of the total energy and molecular weight of an explosive compound considered. A regressed equation has been obtained for a pool of explosives of various types including nitramines, aliphatic and aromatic nitro compounds. Also another regressed equation for nitramines only is given. For the regression, the total energies are obtained using DFT (UB3LYP/6-31G(d)). The regression statistics are given and discussed.