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Partial Least-Squares Quantitative Analysis of Infrared Spectroscopic Data. Part II: Application to Detergent Analysis

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An implementation of the PLS (partial least-squares) statistical approach to quantitative analysis was applied to a set of mid-infrared spectra obtained from a series of commercial detergent samples. The components analyzed included the base detergent, sodium benzoate, 2-propanol, 1,2-propanediol, polypropylene glycol, and glycerol. The samples were analyzed with the use of a horizontal attenuated total reflectance (ATR) accessory equipped with a zinc selenide crystal. The PLS model created in the calibration was found to provide excellent results for a set of validation samples.

Keywords: Detergent analysis; Infrared; Partial least-squares analysis; Quantitative analysis; Statistical analysis

Document Type: Research Article


Affiliations: Applications Specific Product Group, Nicolet Instrument Corporation, 5225 Verona Road, P.O. Box 4508, Madison, Wisconsin 53711-0508

Publication date: February 1, 1988

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