Prediction of diesel fuel properties by vibrational spectroscopy using multivariate analysis
作者： Slavica Marinović , Marko Krištović , Branka Špehar , Vinko Rukavina , Ante Jukić
DOI: 10.1134/S1061934812120039
关键词:
摘要: Partial least squares regression (PLS) calibration models based on Fourier transform infrared (FTIR-ATR) and Raman spectra (FT-Raman) were applied to the rapid accurate simultaneous determination of main properties diesel fuels. Training sets composed over ninety commercial fuel samples. The methods use baseline-uncorrected, raw FTIR-ATR FT-Raman spectra. Two spectral regions studied: full region “fingerprint” region. validated using cross-validation process. Based correlation coefficient root mean square error cross validation (RMSECV) values both developed models, PLS/FTIR-ATR PLS/FT-Raman, very comparable with standard testing methods. following may be confidently estimated: cetane number, index, density, viscosity, distillation temperatures at 10% (T10), 50% (T50) 90% (T90) recovery, as well contents total aromatics polycyclic aromatic hydrocarbons. As compared region, model displayed slightly better performances most above 0.98.
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