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-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.
Ferrão
Marco F
MF
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
Godoy
Simone C
SC
Gerbase
Annelise E
AE
Mello
Cesar
C
Furtado
João Carlos
JC
Petzhold
Cesar L
CL
Poppi
Ronei Jesus
RJ