Using near-infrared overtone regions to determine biodiesel content and adulteration of diesel/biodiesel blends with vegetable oils

作者：Cruz de Vasconcelos Fernanda Vera; Barbosa de Souza Paulo Fernandes Jr; Pimentel Maria Fernanda; Coelho Pontes Marcio Jose; Pereira Claudete Fernandes^*

来源：Analytica Chimica Acta, 2012, 716: 101-107.

DOI：10.1016/j.aca.2011.12.027

• Diesel/biodiesel blends
• Near-infrared (NIR) spectrometry
• Multivariate calibration
• Variable selection
• Successive projections algorithm (SPA)
• Jack-Knife algorithm (JK)

This work evaluates the use of near-infrared (NIR) overtone regions to determine biodiesel content, as well potential adulteration with vegetable oil, in diesel/biodiesel blends. For this purpose. NIR spectra (12,000-6300 cm(-1)) were obtained using three different optical path lengths: 10 mm, 20 mm and 50 mm. Two strategies of regression with variable selection were evaluated: partial least squares (PLS) with significant regression coefficients selected by Jack-Knife algorithm (PLS/JK) and multiple linear regression (MLR) with wavenumber selection by successive projections algorithm (MLR/SPA). For comparison, the results obtained by using PLS full-spectrum models are also presented. In addition, the performance of models using NIR (1.0 mm optical path length, 9000-4000 cm(-1)) and MIR (UATR - universal attenuated total reflectance, 4000-650 cm(-1)) spectral regions was also investigated. The results demonstrated the potential of overtone regions with MLR/SPA regression strategy to determine biodiesel content in diesel/biodiesel blends, considering the possible presence of raw oil as a contaminant. This strategy is simple, fast and uses a fewer number of spectral variables. Considering this, the overtone regions can be useful to develop low cost instruments for quality control of diesel/biodiesel blends, considering the lower cost of optical components for this spectral region.

• 出版日期2012-2-24