Organophosphorus-based chemical warfare agents (CWAs) are a class of compounds which exhibit incredible toxicity to human life. The G-series agents are of particular concern due to their high volatility and vapor pressure, presenting a vapor hazard to exposed personnel. While much attention has been focused on the capture and sequestration of these toxic vapors on high surface area materials, there has been comparatively little research conducted on the oxidative decontamination of CWAs. Our work focuses on obtaining a mechanistic understanding of these oxidative pathways on single-atom supported catalysts (SAC), such as Au/TiO2 and Pt/TiO2. To this end, we will first employ a plug flow reactor to rapidly screen for the oxidation of G-agent simulants dimethyl methylphosphonate (DMMP) and dimethyl chlorophosphate (DMCP) in a wide range of operationally-relevant conditions. Decomposition products are measured in real-time through the use of an ambient-pressure mass spectrometer, which provides insight into catalyst performance. Ancillary spectroscopic techniques, such as FTIR, will provide information about the chemical species responsible for catalyst deactivation. Our preliminary results show that a SAC Pt/TiO2 catalyst is able to fully oxidize MeOH, a byproduct of DMCP and DMMP decomposition, into CO2.The information gleaned from our work will be used to develop highly reactive single-atom catalysts that oxidize organophosphorus-based CWAs into less-lethal byproducts. These catalysts will provide a novel method for CWA filtration and decontamination, which could revolutionize how we protect the warfighter against chemical threats.

Investigating the oxidation of gas-phase G-agent simulants over single-atom catalysts

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

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