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Thermochemistry of cyclic acetone peroxides

Authors
Journal
Thermochimica Acta
0040-6031
Publisher
Elsevier
Volume
585
Identifiers
DOI: 10.1016/j.tca.2014.03.046
Keywords
  • Diacetonediperoxide (Dadp)
  • Triacetonetriperoxide (Tatp)
  • Enthalpy Of Formation
Disciplines
  • Chemistry
  • Physics

Abstract

Abstract Two potentially initiating explosive peroxides, diacetonediperoxide (DADP) and triacetonetriperoxide (TATP), were studied in respect to their thermochemical properties. To get the internally self-consistent estimations of gas-phase enthalpy of formation of DADP and TATP, their values were calculated by combining Gaussian-4 (G4) theory with an isodesmic reaction scheme. The energies of combustion (ΔcU) were measured and the standard enthalpies of formation (ΔfH298°) of DADP and TATP were derived using the standard enthalpies of formation of the combustion products. The heat of explosion was measured for small low-pressed charges of the peroxides. The obtained enthalpies of formation of DADP and TATP were found to agree well with quantum chemical calculations and reasonably account for the observed derivative parameters: heats of decomposition, combustion, and detonation.

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