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Proceedings Paper

Simulating ATR spectra for detecting nerve agent-sorbent binding
Author(s): M. R. Papantonakis; C. A. Roberts; A. Shabaev; Y. Kim; R. A. McGill; C. A. Kendziora; R. Furstenberg; S. G. Lambrakos
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Paper Abstract

Prototype simulations of attenuated total re ection (ATR) applied for infrared molecular binding spectroscopy, which is for nerve-agent detection, are presented. The simulations use: calculated estimates of permitivity functions (for the custom sorbent SiFA4H, nerve agent simulant DMMP and molecular structure SiFA4H-DMMP); and a model of re ection from multicomponent-multilayer systems, which is based on the scattering-matrix representation of electromagnetic-wave propagation. The physical assumptions and approximations underlying these simulations, and model-parameter sensitivity are examined with respect to quantitative prediction of ATR spectra associated with nerve-agent detection. Experimentally measured ATR spectra are utilized for qualitative comparison and quantitative adjustment of model parameters.

Paper Details

Date Published: 16 May 2018
PDF: 7 pages
Proc. SPIE 10629, Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing XIX, 1062913 (16 May 2018); doi: 10.1117/12.2303796
Show Author Affiliations
M. R. Papantonakis, U.S. Naval Research Lab. (United States)
C. A. Roberts, U.S. Naval Research Lab. (United States)
A. Shabaev, U.S. Naval Research Lab. (United States)
Y. Kim, U.S. Naval Research Lab. (United States)
R. A. McGill, U.S. Naval Research Lab. (United States)
C. A. Kendziora, U.S. Naval Research Lab. (United States)
R. Furstenberg, U.S. Naval Research Lab. (United States)
S. G. Lambrakos, U.S. Naval Research Lab. (United States)


Published in SPIE Proceedings Vol. 10629:
Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing XIX
Jason A. Guicheteau; Augustus Way Fountain III; Chris R. Howle, Editor(s)

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