Chemical recognition software

Conference · Wed Jun 01 04:00:00 EDT 1994

OSTI ID:10155775

Wagner, J S; Trahan, M W; Nelson, W E; Hargis, Jr, P H; Tisone, G C

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.

• Research Organization: Sandia National Labs., Albuquerque, NM (United States)
• Sponsoring Organization: USDOE, Washington, DC (United States)
• DOE Contract Number: AC04-94AL85000
• OSTI ID: 10155775
• Report Number(s): SAND--94-1435C; CONF-9404162--2; ON: DE94012918
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400102
54 ENVIRONMENTAL SCIENCES
540220
CHEMICAL ANALYSIS
CHEMICAL AND SPECTRAL PROCEDURES
CHEMICALS MONITORING AND TRANSPORT
COMPUTERIZED SIMULATION
CONCENTRATION RATIO
EXPERT SYSTEMS
MIXTURES
MULTIVARIATE ANALYSIS
PATTERN RECOGNITION
REMOTE SENSING