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Titanium(II) as a Fuel Atom in Energetic Materials.

Alexandra M BaconWarren TomlinsonJoseph P HooperMichael J Zdilla
Published in: Inorganic chemistry (2023)
The energetic content of the compounds MgTp 2 , FeTp 2 , MnTp 2 , and TiTp 2 is measured by bomb calorimetry and compared to theoretical calculations (Tp = trispyrazoylborate). TiTp 2 had the largest heat of combustion of the four compounds. Comparison of the heat of combustion of the Ti complex to those of Mg and Mn complexes suggests an effective combustion energy of Ti II of between 1400 and 3000 kJ/mol, affirming the role of Ti II as a strong fuel atom.
Keyphrases
  • molecular dynamics
  • particulate matter
  • sewage sludge
  • municipal solid waste
  • heat stress
  • density functional theory
  • molecular dynamics simulations
  • monte carlo