Interaction of an alpha-Particle with TATB

TÜRKER B. L., Varis S.

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, cilt.640, ss.1727-1731, 2014 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 640
  • Basım Tarihi: 2014
  • Doi Numarası: 10.1002/zaac.201400104
  • Dergi Adı: ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.1727-1731
  • Anahtar Kelimeler: Triaminotrinitrobenzene, TATB, alpha-Particle, Explosives, Density functional calculations, QUANTUM-CHEMICAL TREATMENT, MONO IONIC FORMS, DETONATION PROPERTIES, SEMIEMPIRICAL METHODS, MONOVALENT IONS, EXPLOSIVES, DENSITY, OPTIMIZATION, SENSITIVITY, PARAMETERS
  • Orta Doğu Teknik Üniversitesi Adresli: Evet

Özet

Interaction of an alpha particle with triaminotrinitrobenzene (TATB) which is an insensitive explosive has been investigated by density functional calculations. It has been found that alpha-particles interact with TATB disturbing its planar geometry. As a result, the C-NO2 bond dissociation energies are substantially decreased, whereas detonation velocity and pressure values increased as compared to TATB. The quantum chemical properties of the structures are presented.