Environmental Fate and Transport of Energetic Materials: The Aqueous Environment

摘要

This project strives to improve our understanding of the environmental behavior of energetic materials (EM) in soil and water resources, to facilitate development of improved remediation strategies. The current work uses pseudo- potential DFT/Ab Initio Molecular Dynamics to study the interaction of traditional and model notional energetic materials in the aqueous environment. The aqueous behavior of RDX, FOX7, and 5-Aminotetrazole are compared and contrasted.