Computationally Based Predictions for the Burning Rates and Flame Structures of Nitroglycerin Doped with Various Small Molecules

Report No. ARL-TR-8721
Authors: Chiung-Chu Chen, William R. Anderson, Michael J. McQuaid
Date/Pages: June 2019; 128 pages
Abstract: A CYCLOPS-based model was employed to simulate the steady laminar deflagration of liquid nitroglycerin [NG(l)] and mixtures of it with various small molecules, including hydrazoic acid, hydrazine, ammonia, isocyanic acid, formaldehyde, and urea. Employing a detailed, finite-rate chemical kinetics mechanism that included elementary reactions for decomposing the parent molecule of every ingredient considered, including NG(l), it enabled the gas-phase combustion chemistry occurring near the burning surface to be modeled more realistically than previously possible, and new insights into the factors that control NG(l)'s burning rate and flame structure and these additives' impacts on them were obtained. Evidence for changes in burning rates due to the additivesâ?? impacts on radical pool growth were observed, with hydrazine and ammonia inducing the largest such impact. However, the factor found to be most responsible for observed differences in predicted burning rates was the additiveâ??s enthalpy.
Distribution: Approved for public release
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Last Update / Reviewed: June 1, 2019