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Applied Spectroscopy

Applied Spectroscopy

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  • Vol. 42, Iss. 2 — Feb. 1, 1988
  • pp: 228–236

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

M. P. Fuller, G. L. Ritter, and C. S. Draper

Applied Spectroscopy, Vol. 42, Issue 2, pp. 228-236 (1988)


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Abstract

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.

Citation
M. P. Fuller, G. L. Ritter, and C. S. Draper, "Partial Least-Squares Quantitative Analysis of Infrared Spectroscopic Data. Part II: Application to Detergent Analysis," Appl. Spectrosc. 42, 228-236 (1988)
http://www.opticsinfobase.org/as/abstract.cfm?URI=as-42-2-228

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