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

Report No. ARL-TN-0785
Authors: Edward FC Byrd
Date/Pages: September 2016; 16 pages
Abstract: Using the US Army Research LaboratoryĆ¢??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-bis([1,2,3]triazolo)[4,5-b:5',4'-e]pyrazine (1), 1,7-dinitro-3,5,8-tri N-oxide-bis([1,2,3]triazolo)[4,5-b:5',4'-e]pyrazine (2), 1,7-dinitro-3,5-bis N-oxide-bis([1,2,3]triazolo)[4,5-b:5',4'-e]pyrazine (3), 1,7-dinitro-1,7-dihydrobis([1,2,3]triazolo)[4,5-b:4',5'-e]pyrazine (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.
Distribution: Approved for public release
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Last Update / Reviewed: September 1, 2016