Reactions of Neat HD with Li3N+H2O and Other Reagents for the Tactical Disablement Project
Abstract
As part of the Tactical Disablement Project, neat weapons-grade HD was reacted with lithium nitride (Li3N) and water in glass reaction containers. The reaction with HD was less successful than the reactions obtained with nerve agents in previous studies. Other reagents were studied for neutralization, and the most effective reagent was NaOCH3. Products were analyzed to determine residual HD. Solid product was formed under some reaction conditions, but the ratio of reagents to HD did not meet the goals of the project. Ab initio computational studies were performed to generate data for comparing the reactions because HD has a complex chemistry that can involve SN2 and E2 reaction mechanisms, nonpolar and ionic reaction intermediates and products, and cyclic sulfonium ion intermediates. Machine learning tools were reviewed to determine the methods that might be useful for modeling reactivity.
Document Details
- Document Type
- Technical Report
- Publication Date
- May 01, 2024
- Accession Number
- AD1227264
Entities
People
- Calen J. Leverant
- Chad Priest
- David J. Mcgarvey
- Jeffery A Greathouse
- Mark K. Kinnan
- Patrick D Burton
- Rachel Knoebel
- Susan L. Rempe
- William R. Creasy
Organizations
- Sandia National Laboratories
- United States Army