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Proceedings Paper

Chemical recognition software
Author(s): John S. Wagner; Michael W. Trahan; Willie E. Nelson; Philip J. Hargis; Gary C. Tisone
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Paper Abstract

We have developed a capability to make real time concentration measurements of individual chemicals in a complex mixture using a multispectral laser remote sensing system. Our chemical recognition and analysis software consists of three parts: (1) a rigorous multivariate analysis package for quantitative concentration and uncertainty estimates, (2) a genetic optimizer which customizes and tailors the multivariate algorithm for a particular application, and (3) an intelligent neural net chemical filter which pre-selects from the chemical database to find the appropriate candidate chemicals for quantitative analyses by the multivariate algorithms, as well as providing a quick-look concentration estimate and consistency check. Detailed simulations using both laboratory fluorescence data and computer synthesized spectra indicate that our software can make accurate concentration estimates from complex multicomponent mixtures, even when the mixture is noisy and contaminated with unknowns.

Paper Details

Date Published: 19 January 1995
PDF: 11 pages
Proc. SPIE 2367, Optical Sensors for Environmental and Chemical Process Monitoring, (19 January 1995); doi: 10.1117/12.199671
Show Author Affiliations
John S. Wagner, Sandia National Labs. (United States)
Michael W. Trahan, Sandia National Labs. (United States)
Willie E. Nelson, Sandia National Labs. (United States)
Philip J. Hargis, Sandia National Labs. (United States)
Gary C. Tisone, Sandia National Labs. (United States)


Published in SPIE Proceedings Vol. 2367:
Optical Sensors for Environmental and Chemical Process Monitoring
Ishwar D. Aggarwal; Stuart Farquharson; Eric Koglin, Editor(s)

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