Abstract
In this work, the use of 1H-NMR spectroscopy and a statistical approach to the analysis of biodiesel concentrations in blends with conventional diesel is described. For this, we performed 1H-NMR analyses using distinct mixtures of biodiesel from soybean and castor oil in mineral diesel, in concentrations ranging from 0.5 to 30%, and then we applied partial least squares regression (PLS) and principal components regression (PCR) to such data. So, six models were designed and they were evaluated through statistical parameters and through the analysis of four samples prepared in the laboratory. Briefly, a PLS model, obtained through the selection of aromatic, aliphatic and methoxy spectral regions, was quite suitable for the prediction of biodiesel concentrations greater than 2.0%. Deviations of real and predicted values were found to B2 commercial blends, indicating that this model can only be applied to blends exceeding a 2.0% level of biodiesel in petroleum diesel. In conclusion, the 1H-NMR-PLS method is fairly useful for the quality control of biodiesel–diesel blends, whose commercialisation has increased in the last few years.
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References
Agarwal AK (2007) Biofuels (alcohol and biodiesel) applications as fuels for internal combustion engines. Prog Energ Combust Sci 33:233–271
Tat ME, Van Gerpen JH (1999) The kinematic viscosity of biodiesel and its blends with diesel fuel. J Am Oil Chem Soc 76:1511–1513
Knothe G (2001) Determining the blend level of mixtures of biodiesel with conventional diesel fuel by fiber-optic near-infrared spectroscopy and 1H nuclear magnetic resonance spectroscopy. J Am Oil Chem Soc 78:1025–1028
Directive 2003/30/EC (OJ L 123, 17.5.2003) of the European Parliament and of the Council on the promotion of the use of biofuels or other renewable fuels for transport
Brazilian federal law no 11.097/05 from 13/01/2005
Monteiro MR, Ambrozin ARP, Lião LM, Ferreira AG (2008) Critical review on analytical methods for biodiesel characterization. Talanta 77:593–605
Diehl B, Randel G (2007) Analysis of biodiesel, diesel and gasoline by NMR spectroscopy–a quick and robust alternative to NIR and GC. Lipid Technol 19:258–260
Monteiro MR, Ambrozin ARP, Lião LM, Ferreira AG (2009) Determination of biodiesel blend levels in different diesel samples by 1H NMR. Fuel 88:691–696
Ferreira MMC, Antunes AM, Melgo MS, Volpe PLO (1999) Quimiometria I: calibração multivariada, um tutorial. Quim Nova 22:724–731
Monteiro MR, Ambrozin ARP, Santos MS, Boffo EF, Pereira-Filho ER, Lião LM, Ferreira AG (2008) Evaluation of biodiesel–diesel quality using 1H NMR and chemometrics. Talanta 78:660–664
Oliveira JS, Montalvão R, Daher L, Suarez PAZ, Rubim JC (2006) Determination of methyl ester contents in biodiesel blends by FTIR-ATR and FTNIR spectroscopies. Talanta 69:1278–1284
Conceição MM, Candeia RA, Silva FC, Bezerra AF, Fernandes VJ Jr, Souza AG (2007) Thermoanalytical characterization of castor oil biodiesel. Renew Sust Energ Rev 11:964–975
Oliveira FCC, de Souza ATPC, Dias JA, Dias SCL, Rubim JC (2004) A escolha da faixa espectral no uso combinado de métodos espectroscópicos e quimiométricos. Quim Nova 27:218–225
Acknowledgments
We are grateful to the Centro de Caracterização e Desenvolvimento de Materiais (CCDM,UFSCar/UNESP), Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP), Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq), and Financiadora de Estudos e Projetos (FINEP) for the financial support.
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Monteiro, M.R., Ambrozin, A.R.P., Lião, L.M. et al. 1H NMR and Multivariate Calibration for the Prediction of Biodiesel Concentration in Diesel Blends. J Am Oil Chem Soc 86, 581–585 (2009). https://doi.org/10.1007/s11746-009-1374-7
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DOI: https://doi.org/10.1007/s11746-009-1374-7