Near-infrared reflectance analysis by Gauss-Jordan linear algebra

Journal Article · Tue Nov 01 00:00:00 EST 1983 · Appl. Spectrosc.; (United States)

DOI:https://doi.org/10.1366/0003702834634631· OSTI ID:5055112

Honigs, D E; Freelin, J M; Hieftje, G M; Hirschfeld, T B

Near-infrared reflectance analysis is an analytical technique that uses the near-infrared diffuse reflectance of a sample at several discrete wavelengths to predict the concentration of one or more of the chemical species in that sample. However, because near-infrared bands from solid samples are both abundant and broad, the reflectance at a given wavelength usually contains contributions from several sample components, requiring extensive calculations on overlapped bands. In the present study, these calculations have been performed using an approach similar to that employed in multi-component spectrophotometry, but with Gauss-Jordan linear algebra serving as the computational vehicle. Using this approach, correlations for percent protein in wheat flour and percent benzene in hydrocarbons have been obtained and are evaluated. The advantages of a linear-algebra approach over the common one employing stepwise regression are explored.

• Research Organization: Department of Chemistry, Indiana University, Bloomington, Indiana 47405
• OSTI ID: 5055112
• Journal Information: Appl. Spectrosc.; (United States), Vol. 37:6
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
INFRARED SPECTRA
ANALYTICAL SOLUTION
SIMULATION
QUANTITATIVE CHEMICAL ANALYSIS
ONE-DIMENSIONAL CALCULATIONS
ALGORITHMS
BENZENE
MATRICES
NEAR INFRARED RADIATION
QUANTITY RATIO
REFLECTIVITY
SPECTROPHOTOMETRY
WHEAT
AROMATICS
CEREALS
CHEMICAL ANALYSIS
ELECTROMAGNETIC RADIATION
GRAMINEAE
GRASS
HYDROCARBONS
INFRARED RADIATION
MATHEMATICAL LOGIC
OPTICAL PROPERTIES
ORGANIC COMPOUNDS
PHYSICAL PROPERTIES
PLANTS
RADIATIONS
SPECTRA
SURFACE PROPERTIES
400104* - Spectral Procedures- (-1987)