Destruction Chemistry of Mustard Simulants

Abstract

This study investigates the destruction chemistry of organosulfur compounds under both pyrolytic and oxidative conditions. We focus on the destruction of alkyl sulfides that are surrogates for chemical warfare agents H, HD, and HT. We report our work on developing thermochemistry, reaction pathways and kinetic parameters for multiple chemical subsystems, using computational chemistry methods. We also report our experimental results from flow reactor experiments for pyrolysis and oxidation of two alkyl sulfides: diethyl sulfide and ethyl methyl sulfide. A detailed, elementary reaction, mechanism has been developed to describe the pyrolysis and oxidation chemistry relevant to these compounds.

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Document Details

Document Type
Technical Report
Publication Date
Jul 04, 2008
Accession Number
ADA499478

Entities

People

  • E. M. Fisher
  • F. C. Gouldin
  • J. W. Bozzelli

Organizations

  • Cornell University

Tags

Communities of Interest

  • Energy and Power Technologies
  • Human Systems

DTIC Thesaurus Topics

  • Alkenes
  • Chemical Compounds
  • Chemical Engineering
  • Chemical Reaction Properties
  • Chemical Reactions
  • Chemical Synthesis
  • Chemical Warfare
  • Chemical Warfare Agents
  • Chemistry
  • Combustion
  • Computational Chemistry
  • Computational Chemistry Methods
  • Computational Science
  • Organic Chemistry
  • Physical Chemistry
  • Students
  • Sulfur Compounds

Fields of Study

  • Chemistry

Readers

  • Environmental Engineering.
  • Organic Chemistry