Incorporating Transformation Products into Models of the Environmental Fate of Insensitive Munition Constituents

Abstract

A strategic research priority for the U.S. Department of Defense is the development and deployment of munitions formulations based on insensitive munition compounds (IMCs) rather than traditional explosives such as TNT, RDX and HMX. To ensure that these materials do not create new environmental contamination issues, there is a need to understand the environmental fate and the risk associated with the manufacturing and use of the new generation of IMCs before putting these chemicals into widespread use. This project aimed to provide modeling tools that use methods that are versatile, flexible, and robust to predict reaction products, transformation pathways, and fate determining physicochemical properties of existing as well as candidate/future (I)MCs.

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Document Details

Document Type
Technical Report
Publication Date
Dec 01, 2022
Accession Number
AD1202894

Entities

People

  • Billy E. Johnson
  • Billy Johnson
  • Eric J Bylaska
  • Jalal Hawari
  • Jeffery A. Gerald
  • Jodi L. Ryder
  • Paul G Tratnyek
  • Zhonglong Zhang

Organizations

  • Engineer Research and Development Center
  • Oregon Health & Science University
  • Pacific Northwest National Laboratory
  • Polytechnic School of Montreal

Tags

Communities of Interest

  • Autonomy
  • Biomedical
  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Chemical Compounds
  • Chemical Reactions
  • Chemical Synthesis
  • Chemistry
  • Computational Modeling
  • Computational Science
  • Data Mining
  • Databases
  • Density Functional Theory
  • Ecology
  • Ecotoxicology
  • Environmental Protection
  • Explosives
  • Insensitive Explosives
  • Machine Learning
  • Organic Chemistry
  • Risk Analysis

Fields of Study

  • Environmental science

Readers

  • Agricultural Chemistry/Soil Science
  • Naval Mine Countermeasure Systems Development.
  • Systems Analysis and Design