Simulating ATR spectra for detecting nerve agent-sorbent binding

M. R. Papantonakis; C. A. Roberts; A. Shabaev; Y. Kim; R. A. McGill; C. A. Kendziora; R. Furstenberg; S. G. Lambrakos

doi:10.1117/12.2303796

16 May 2018 Simulating ATR spectra for detecting nerve agent-sorbent binding

M. R. Papantonakis, C. A. Roberts, A. Shabaev, Y. Kim, R. A. McGill, C. A. Kendziora, R. Furstenberg, S. G. Lambrakos

Proceedings Volume 10629, Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing XIX; 1062913 (2018) https://doi.org/10.1117/12.2303796
Event: SPIE Defense + Security, 2018, Orlando, FL, United States

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.

Citation Download Citation

M. R. Papantonakis, C. A. Roberts, A. Shabaev, Y. Kim, R. A. McGill, C. A. Kendziora, R. Furstenberg, and S. G. Lambrakos "Simulating ATR spectra for detecting nerve agent-sorbent binding", Proc. SPIE 10629, Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing XIX, 1062913 (16 May 2018); https://doi.org/10.1117/12.2303796

ACCESS THE FULL ARTICLE

INSTITUTIONAL
Select your institution to access the SPIE Digital Library.

SELECT YOUR INSTITUTION

PERSONAL
Sign in with your SPIE account to access your personal subscriptions or to use specific features such as save to my library, sign up for alerts, save searches, etc.

PERSONAL SIGN IN

No SPIE Account? Create one

PURCHASE THIS CONTENT

SUBSCRIBE TO DIGITAL LIBRARY

50 downloads per 1-year subscription

Members: $195

Non-members: $335 ADD TO CART

25 downloads per 1 - year subscription

Members: $145

Non-members: $250 ADD TO CART

PURCHASE SINGLE ARTICLE

Includes PDF, HTML & Video, when available

Members: $17.00

Non-members: $21.00 ADD TO CART

PROCEEDINGS
7 PAGES

DOWNLOAD PAPER SAVE TO MY LIBRARY

GET CITATION

RIGHTS & PERMISSIONS

Get copyright permission Get copyright permission on Copyright Marketplace

KEYWORDS

Dielectrics

Crystals

Attenuated total reflectance

Molecular spectroscopy

Infrared spectroscopy

Absorbance

Radio propagation

Show All Keywords

Keywords/Phrases

Search In:

Publication Years