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arXiv · 2509.04236

Multi-Spectroscopic Method to Quantify Rapid Decomposition of an Organophosphate Simulant Using Reactive Materials as a Function of Metal Powder Chemistry and Temperature

Preetom Borah·Elif Irem Senyurt·Rohit Berlia·Jesse Grant·Edward Dreizin·Timothy P Weihs
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Abstract

The development of advanced diagnostic systems to measure and optimize emerging energetic material performance is critical for the defeat of Chemical Warfare Agents (CWA). This study presents an integrated multi-spectroscopic approach to monitor the interaction between a CWA simulant, Diisopropyl Methyl Phosphonate (DIMP), and combusting composite metal particles. A custom benchtop Polygonal Rotating Mirror Infrared Spectrometer (PRiMIRS), equipped with a customizable experimental chamber, is employed to observe DIMP decomposition. Tunable Diode Laser Absorption Spectroscopy (TDLAS) is used to measure path-averaged gas temperature profiles during combustion. In the experiment, the chamber is preheated to evaporate liquid DIMP. Various composite metal powders (Al-8Mg):3Zr, (Al-8Mg):Zr, 2(Al-8Mg):Zr, and 4(Al-8Mg):Zr are placed on a stainless steel mount and ignited using 3Al-2Ni sputter-deposited nanolayered foils. The combusting metal particles mix with the DIMP vapor, initiating chemical and thermal interactions. PRiMIRS captures DIMP spectral evolution, while TDLAS simultaneously monitors gas temperature. A spectral defeat parameter was developed to enable quantitative real-time assessment of the DIMP destruction. It uses infrared light absorption by both from DIMP and its immediate decomposition products Isopropyl Methyl Phosphonate (IMP) and Isopropyl Alcohol (IPA). Fourier Transform Infrared Spectroscopy (FTIR) serves as a secondary verification tool quantifying the decomposition products over extended timeframes, and Transmission Electron Microscopy (TEM) confirms the expected metal oxide dispersion within the reaction space. This study reports variability in DIMP defeat as a function of metal powder stoichiometry, metal powder loading, and path-averaged gas temperature profiles, offering critical insights into optimizing reactive materials for effective CWA neutralization.

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Preetom Borah, Elif Irem Senyurt, Rohit Berlia, Jesse Grant, Edward Dreizin, Timothy P Weihs. 2025-09-04. Multi-Spectroscopic Method to Quantify Rapid Decomposition of an Organophosphate Simulant Using Reactive Materials as a Function of Metal Powder Chemistry and Temperature. https://doi.org/10.1016/j.cej.2025.172061

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