DocumentCode
3291897
Title
Environmental Fate and Transport of Energetic Materials: The Aqueous Environment
Author
Hurley, M.
Author_Institution
US Army Res. Lab. (ARL), Aberdeen Proving Ground, MD, USA
fYear
2010
fDate
14-17 June 2010
Firstpage
233
Lastpage
237
Abstract
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.
Keywords
explosives; soil; water resources; 5-Aminotetrazole; FOX7; RDX; ab initio molecular dynamics; aqueous environment; energetic materials; environmental behavior; improved remediation strategies; pseudopotential DFT; soil; water resources; Algorithm design and analysis; Analytical models; Compounds; Distribution functions; Soil; Water;
fLanguage
English
Publisher
ieee
Conference_Titel
High Performance Computing Modernization Program Users Group Conference (HPCMP-UGC), 2010 DoD
Conference_Location
Schaumburg, IL
Print_ISBN
978-1-61284-986-7
Type
conf
DOI
10.1109/HPCMP-UGC.2010.63
Filename
6018020
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