Methods for chemical warfare agent reaction studies on reactive films using headspace GC/MS and high resolution magic angle spinning (HRMAS) NMR

Abstract

Many laboratories are studying the reactions of Chemical Warfare Agents (CWA) and simulants with various sorbent materials, fabrics, and decontamination solutions, in an effort to develop commercial or military CW remediation methods. In order to facilitate the comparisons of the results between various laboratories, it is helpful to have a standard, well-characterized analytical method. The method should not require specialized instrumentation, if possible. It should be standardized to allow simulant reaction studies to be compared directly to CWA reactions that are done at specialized laboratories. High Resolution (Solid State) Magic Angle Spinning (HRMAS) NMR studies have been used to study reactions on solids, since it can detect volatile CW agents as well as nonvolatile decontamination products. A headspace gas chromatography/mass spectrometry (GC/MS) method was also tested for this application, since it can be used to study reactivity and permeation. An approach is described for measuring permeation through films as vapor or liquid by using a two vial (vial within a vial) approach. Reactions on treated fabrics with the CWA HD [bis(chloroethyl) sulfide], GD (pinacolyl methylphosphonofluoridate), and VX [S,2-(diisopropylamino)ethyl methylphosphonothioate], and some simulants for these agents, are discussed.