title: Non-destructive method for determination of hydroxyl value of soybean polyol by LS-SVM using HATR/FT-IR.
abstract: 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.
authors.affiliation: Departament of Chemistry and Physics, Universidade de Santa Cruz do Sul, C.P. 188, CEP: 96815-900, Santa Cruz do Sul, RS, Brazil. ferrao@unisc.br
authors.forename: Marco F
authors.initials: MF
authors.lastname: Ferrão
authors.forename: Simone C
authors.initials: SC
authors.lastname: Godoy
authors.forename: Annelise E
authors.initials: AE
authors.lastname: Gerbase
authors.forename: Cesar
authors.initials: C
authors.lastname: Mello
authors.forename: João Carlos
authors.initials: JC
authors.lastname: Furtado
authors.forename: Cesar L
authors.initials: CL
authors.lastname: Petzhold
authors.forename: Ronei Jesus
authors.initials: RJ
authors.lastname: Poppi