High-Explosive Detonation-Driven Simulant Decomposition in Confined Environments
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Shah, Hruday
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Abstract
This work presents a numerical study focusing on thermal decomposition of a chemical simulant in an confined domain, subject to a high-explosive detonation. A two-step modeling framework is employed, in which a spherical free-field detonation is first simulated and subsequently interpolated into a three-dimensional confined cylindrical domain. The methodology is intended to reduce computational cost while preserving key flow features necessary for capturing early blast behavior and post-detonation wave reflections. Grid refinement and verification studies suggest that the framework is capable of reproducing primary and reflected shock interactions with reasonable accuracy, showing agreement with experimental overpressure data and the free-field Kingery–Bulmash semi-empirical relation.
The verified framework is then used to explore the decomposition behavior of a gas-phase simulant introduced into the confined chamber. Parametric studies examining both spatial placement and initial geometry indicate that proximity to the blast origin has a strong influence on decomposition efficiency, likely due to the intensity of thermal exposure during the initial milliseconds following detonation. Geometric effects, particularly differences in surface area-to-volume ratio, appear to affect thermal retention and product formation, especially in lower-energy regions of the domain. The formation of primary and secondary decomposition products is found to depend on both thermal history and activation energy thresholds.
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2025-12
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Text
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Thesis (Masters Degree)