The surface decomposition chemistry of CWA simulants and live agents on zirconium hydroxide (Zr(OH)4), a promising filtration and decontamination material, are affected by common environmental conditions and atmospheric components such as water, CO2, SOx/NOx, and VOCs. The amorphous structure of Zr(OH)4 comprises varying fractions of terminal and bridging hydroxyls with differing chemical reactivity. No single technique will fully reveal the chemical changes in this complex system. As such, a suite of ambient-compatible, operando analytical approaches is utilized such as attenuated total reflectance (ATR) and diffuse reflectance infrared Fourier transform spectroscopy. Additional supporting structural and mechanistic information is collected using other tools such as X-ray photoelectron spectroscopy and microbreakthrough analysis. Coupled with a robust theory component, these results provide insight into the reaction mechanisms occurring on the surface of Zr(OH)4 under realistic operating conditions. This talk focuses on the implications of the common atmospheric gases CO2, SO2, and NO2 on the decomposition performance of Zr(OH)4 with the chemical warfare agent Sarin.

Understanding chemical warfare agent decomposition in complex, real-world conditions using operando spectroscopy

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

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.