Theoretical Prediction of the Heats of Formation, Densities, and Relative Sensitivities for 1,7-dinitro-3,4,5,8-tetra N-oxide-bis([1,2,3]triazolo)[4,5-b:5',4' e]pyrazine, 1,7-dinitro-3,5,8-tri N-oxide bis([1,2,3]triazolo)[4,5-b:5',4' e]pyrazine, 1,7-dinitro 3,5-bis N-oxide bis([1,2,3]triazolo)[4,5-b:5',4' e]pyrazine, 1,7-dinitro 1,7-dihydrobis([1,2,3]triazolo)[4,5-b:4',5'-e]pyrazine
Technical Report,01 Nov 2015,31 Dec 2015
US Army Research Laboratory Aberdeen Proving Ground United States
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Using the US Army Research Laboratory developed series of scripts, written to dramatically simplify the computation of crystalline density and heat of formation, the performance properties for the 1,7-dinitro-3,4,5,8-tetra N-oxide-bis1,2,3triazolo4,5-b5,4-epyrazine 1, 1,7-dinitro-3,5,8-tri N-oxide-bis1,2,3triazolo4,5-b5,4-epyrazine 2, 1,7-dinitro-3,5-bis N-oxide-bis1,2,3triazolo4,5-b5,4-epyrazine 3, 1,7-dinitro-1,7-dihydrobis1,2,3triazolo4,5-b4,5-epyrazine 4 notional energetic materials were evaluated. 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.