Prediction of diesel fuel properties by vibrational spectroscopy using multivariate analysis (CROSBI ID 165997)
Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija
Podaci o odgovornosti
Marinović, Slavica ; Krištović, Marko ; Špehar, Branka ; Rukavina, Vinko ; Jukić, Ante
engleski
Prediction of diesel fuel properties by vibrational spectroscopy using multivariate analysis
Partial least squares regression (PLS) calibration models based on Fourier transform infrared (FTIR-ATR) and Raman spectra (FT-Raman) were applied for the rapid and accurate simultaneous determination of the main properties of diesel fuels. Training sets were composed of over ninety commercial diesel fuel samples. The methods use a baseline-uncorrected, raw FTIR-ATR and FT-Raman spectra. Two spectral regions were studied: full spectral region and “fingerprint” region. The models were validated using the cross-validation process. Based on the correlation coefficient and root mean square error of cross validation (RMSECV) values the both developed calibration models, PLS/FTIR-ATR and PLS/FT-Raman, were very accurate and comparable with standard testing methods. The following diesel fuel properties may be confidently estimated: cetane number, cetane index, density, viscosity, distillation temperatures at 10 % (T10), 50% (T50) and 90% (T90) recovery, as well as the contents of total aromatics and polycyclic aromatic hydrocarbons. The PLS/FTIR-ATR model using full spectral region displayed slightly better performances with the most of the correlation coefficient values above 0.98.
FTIR-ATR ; FT-Raman ; diesel fuel ; multivariate calibration ; PLS
nije evidentirano
nije evidentirano
nije evidentirano
nije evidentirano
nije evidentirano
nije evidentirano
Podaci o izdanju
67 (12)
2012.
939-949
objavljeno
1061-9348
1608-3199
10.1134/S1061934812120039