Determination of higher heating value of petro-diesels using mid-infrared spectroscopy and chemometry

作者：Al Degs Yahya S; Al Ghouti Mohammed; Walker Gavin^*

来源：Journal of Thermal Analysis and Calorimetry, 2012, 107(2): 853-862.

DOI：10.1007/s10973-011-1574-x

• Higher heating value
• Petro-diesel
• Gas chromatography
• Bomb calorimetry
• Mid-infrared (MIR) spectroscopy
• Chemometry

Higher heating value (HHV) is probably the most important property of the fuels. Bomb calorimeter and derived empirical formulae are often used for accurate determination of HHV of fuels. A useful empirical equation was derived to estimate HHV of petro-diesels from their C and H contents: HHV (in MJ/kg) = 0.3482(C) + 1.1887(H), r (2) = 0.9956. The derived correlation was validated against the most common formulae in the literature, Boie and Channiwala-Parikh correlations. Accordingly, accurate determination of C and H contents is essential for estimation of HHV and avoids using a bomb calorimeter. However, accurate estimation of C and H contents requires using expensive and laborious gas chromatographic techniques. In this work, chemometry offered a simple method for HHV determination of petro-diesels without using bomb calorimeter or even gas chromatography. PLS-1 calibration was used instead of gas chromatography to find C and H contents from the non-selective mid-infrared (MIR) spectra of petro-diesels, HHV was then estimated from the earlier empirical equation. The proposed method predicts HHV of petro-diesels with high accuracy and precision, with modest analysis costs. The present method may be extended to other fuels.

• 出版日期2012-2