Calculations on the unimolecular decomposition of the nerve agent VX

Abstract

The thermal decomposition of VX has been studied computationally. The VX reactions have higher barriers and slower rates than the GB reaction. It is predicted that VX completely decomposes in 2 s at temperatures above 750 K.

Decontamination of Mustard Gas with Processable Dry Reactive Polymers via Oxidation–Chlorination

“…The species and reactivity of functional groups in reactive polymers play a critical role, which always make polymers become stoichiometric reagents in the detoxification of CWAs. − Therefore, the activity of reactive groups is very critical for the degradation rate of CWAs as functional groups would be consumed gradually during the stoichiometric reaction. , Most of the past research in the design and synthesis of reactive polymers always focused on modifying surface nucleophilic groups in polymers, such as aminopyridine and oxime, to hydrolyze nerve agents and their simulants (i.e., Sarin, Soman, and VX). − Sulfur mustard (HD, 2-bis­(2-chloroethyl) sulfide) is a vesicant agent that can cause severe blistering on the skin or injure the eyes. Therefore, the self-decontamination function is more essential for clothing materials against HD. − Unfortunately, the hydrolysis of HD is severely limited by its relatively low solubility and the generation of thiodiglycol (TDG), bringing more challenges for the targeted reactive polymer design. − Until now, catalytic oxidation by decontamination agents has become a promising method for the self-detoxification of HD in practical applications. − N-halamine-modified commercial polymers have been proved to be capable of decontaminating 2-chloroethyl ethyl sulfide (2-CEES, HD simulant), but the efficiency needs to be improved because researchers have focused more on protection performance. , Meanwhile, the detoxification efficiency of CEES was affected dramatically by the relative humidity, which could limit the activity for HD decontamination in all-solid state.…”