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An exploratory approach to modeling explosive compound persistence and flux using dissolution kinetics.

Jason C Lynch1, James M Brannon, Kirk Hatfield

  • 1Department of Geography and Environmental Engineering, Room 6007, 745 Brewerton Road, United States Military Academy, West Point, NY 10996, USA. bj2387@usma.edu

Journal of Contaminant Hydrology
|October 22, 2003
PubMed
Summary

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Predicting the persistence and water concentrations of explosives like 2,4,6-trinitrotoluene (TNT) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) is complex. Dissolution models significantly impact these predictions, highlighting the need for further research.

Area of Science:

  • Environmental Science
  • Chemical Engineering
  • Geochemistry

Background:

  • Aqueous dissolution rates of explosive compounds are crucial for contaminant source term descriptions and environmental fate modeling.
  • Understanding the persistence and dissolution behavior of explosives like TNT and HMX is vital for risk assessment.
  • Existing models show variability, necessitating refinement for accurate environmental predictions.

Purpose of the Study:

  • To predict the solid-phase persistence of 2,4,6-trinitrotoluene (TNT) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX).
  • To estimate resultant explosive concentrations in water using three exploratory modeling approaches.
  • To assess the impact of different dissolution models and rates on persistence and concentration predictions.

Main Methods:

Related Experiment Videos

  • Utilized three exploratory modeling approaches to simulate dissolution.
  • Investigated explosive compounds individually and as components of octol.
  • Analyzed the influence of dissolution model selection and rate parameters.

Main Results:

  • Dissolution model and rate significantly influence predicted persistence of explosive sources.
  • Model selection critically affects predicted concentrations of explosives in solution.
  • A wide range of predictions is possible with current information and modeling approaches.

Conclusions:

  • The choice of dissolution model and rate parameters introduces substantial uncertainty in environmental fate predictions.
  • Further research is essential to refine models for accurate risk assessment and remediation strategies.
  • Improved understanding is needed for appropriate interpretation of fate and transport data for explosives.