In this thesis I will explore a variety of topics. First will be a comparison between simulations and experiments using a program called ALE3D. In these simulations, a material will be detonated and the pressure from the expanding shock wave will be measured at several locations for a comparison to a physical experiment. Next, the effect of an initiation center on detonation was studied. In these simulations, the properties of an initiation center were varied to see what effect they had on the initiation of a detonation. Finally, the effect of the chemistry of a detonation will be studied. The detailed chemical kinetics of a detonation with the reaction products mixing in air will be studied to see what species result from the reaction and what temperature results. The chemical kinetics code described here is a tool under development and while a used approach is proposed it is not currently suitable for predictive purposes.
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Tools for modeling reactive materials: detonation initiation and chemical kinetics