Theoretical Prediction of the Heats of Formation, Densities, and Relative Sensitivities for 3,7-diamino-2,4,6,8-tetranitro-1,5-diazanaphthalene (DATNP) and 3,7-diamino-2,4,6,8-tetranitro-1,5-diazanaphthalene 1,5-N-oxide (DATNPO)
US Army Research Laboratory Aberdeen Proving Ground United States
The US Army Research Laboratorydeveloped series of scripts, written to dramatically simplify the computation of crystalline density and heat of formation, were used to evaluate the performance properties for the 3,7-diamino-2,4,6,8-tetranitro-1,5-diazanaphthalene DATNP 1 and 3,7-diamino-2,4,6,8-tetranitro-1,5-diazanaphthalene 1,5-N-oxide DATNPO 2 notional energetic materials. Additionally, a qualitative estimation of the impact sensitivities has been calculated. This report outlines the procedures used to generate this information, as well as Cheetah calculations using the predicted crystalline density and heat of formation.