A First-Order Linear Model for the Estimation of Detonation Velocity

TÜRKER B. L.

JOURNAL OF ENERGETIC MATERIALS, vol.29, no.1, pp.7-25, 2011 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 29 Issue: 1
  • Publication Date: 2011
  • Doi Number: 10.1080/07370652.2010.495107
  • Journal Name: JOURNAL OF ENERGETIC MATERIALS
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.7-25
  • Keywords: detonation velocity, DFT calculations, explosives, nitramines, regression analysis, SEMIEMPIRICAL METHODS, CHEMISTRY, PARAMETERS, KINETICS, SENSITIVITIES, OPTIMIZATION, PRESSURES, EXCHANGE
  • Middle East Technical University Affiliated: Yes

Abstract

A linear multivariable model has been derived for the estimation of detonation velocity. Then, its two simplified forms, first-order linear models, have been proposed as estimators of detonation velocities of a large population of explosives having different skeletal structures. Then, the models are analyzed mathematically and regression equations are obtained and discussed. The first model possesses two independent variables E/M and density, whereas the second one is based on E/M only. The total energy (E) is obtained at the level of UB3LYP/6-31G(d) and M is the molecular weight of the explosive considered.