Non-destructive method for determination of hydroxyl value of soybean polyol by LS-SVM using HATR/FT-IR

This paper presents the use of least-squares support vector machine (LS-SVM) for quantitative determination of hydroxyl value (OHV) of hydroxylated soybean oils by horizontal attenuated total reflection Fourier transform infrared (HATR/FT-IR) spectroscopy. A least-squares support vector machine (LS-...

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Veröffentlicht in:Analytica chimica acta 2007-07, Vol.595 (1), p.114-119
Hauptverfasser: Ferrão, Marco F., Godoy, Simone C., Gerbase, Annelise E., Mello, Cesar, Furtado, João Carlos, Petzhold, Cesar L., Poppi, Ronei Jesus
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Sprache:eng
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Zusammenfassung:This paper presents the use of least-squares support vector machine (LS-SVM) for quantitative determination of hydroxyl value (OHV) of hydroxylated soybean oils by horizontal attenuated total reflection Fourier transform infrared (HATR/FT-IR) spectroscopy. A least-squares support vector machine (LS-SVM) calibration model for the prediction of hydroxyl value (OHV) was developed using the range 1805.1–649.9 cm −1. Validation of the method was carried out by comparing the OHV of a series of hydroxylated soybean oil predicted by the LS-SVM model to the values obtained by the AOCS standard method. A correlation coefficient equal to 0.989 and RMSEP = 4.96 mg of KOH/g was obtained. This study demonstrates a better prediction ability of the LS-SVM technique to determine OHV in hydroxylated soybean oil samples by HATR/FT-IR spectra.
ISSN:0003-2670
1873-4324
DOI:10.1016/j.aca.2007.02.066