Comparison of near-infrared and mid-infrared spectroscopy for the determination of distillation property of kerosene

• Published in: Vibrational spectroscopy 1999-08, Vol.20 (2), p.155-163
• Main Authors: Chung, Hoeil, Ku, Min-Sik, Lee, Joon-Sik
• Format: Article
• Language: English
• Subjects: Distillation property (curve); IR spectroscopy; Kerosene; MIR; Near infrared spectroscopy; NIR; Partial least squares (PLS) regression
• ISSN: 0924-2031; 1873-3697
• DOI: 10.1016/S0924-2031(99)00034-X

Near-infrared (NIR) and mid-infrared (MIR) spectroscopy have been compared and evaluated for the determination of the distillation property of kerosene with the use of partial least squares (PLS) regression. Since kerosene is a complex mixture of similar hydrocarbons, both spectroscopic methods will be best evaluated with this complex sample matrix. PLS calibration models for each percent recovery temperature have been developed by using both NIR and MIR spectra without spectral pretreatment. Both methods have shown good correlation with the corresponding reference method, however NIR provided better calibration performance over MIR. To rationalize the improved calibration performance of NIR, spectra of the same kerosene sample were continuously collected and the corresponding spectral reproducibility was evaluated. The greater spectral reproducibility including signal-to-noise ratio of NIR led to the improved calibration performance, even though MIR spectroscopy provided more qualitative spectral information. The reproducibility of measurement, signal-to-noise ratio, and richness of qualitative information should be simultaneously considered for proper selection of a spectroscopic method for quantitative analysis.