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Using near-infrared overtone regions to determine biodiesel content and adulteration of diesel/biodiesel blends with vegetable oils
Authors:Fernanda Vera Cruz de Vasconcelos  Paulo Fernandes Barbosa de Souza Jr  Maria Fernanda Pimentel  Márcio José Coelho Pontes  Claudete Fernandes Pereira
Institution:1. Departamento de Química, Universidade Federal da Paraíba, João Pessoa 58.051-970, Brazil;2. Departamento de Engenharia Química, Universidade Federal de Pernambuco, Recife 50.740-521, Brazil;3. Universidade Federal Rural de Pernambuco, Departamento de Química, Laboratório de Análise Química, Inorgânica e Sensores (LAQIS), CEP 52.171-030, Recife, PE, Brazil
Abstract: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.
Keywords:Diesel/biodiesel blends  Near-infrared (NIR) spectrometry  Multivariate calibration  Variable selection  Successive projections algorithm (SPA)  Jack-Knife algorithm (JK)
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