Organic explosive peroxides of acetone: enthalpies of formation

摘要

Two explosive compounds, diacetone diperoxide (DADP) and triacetone triperoxide (TATP) were studied in respect to their thermodynamic properties. Gas-phase enthalpies of formation were calculated based on the total energies at the composite Gaussian-4 (G4) level. The energies of combustion were measured and the standard enthalpies of formation were derived using standard enthalpies of formation of the combustion products. The heat of explosion was measured for small 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.