title: Evaluation of biodiesel-diesel blends quality using 1H NMR and chemometrics.
abstract: In this work, the use of (1)H NMR spectroscopy and statistical approach to the evaluation of biodiesel-diesel blends quality is described. Forty-six mixtures of oil-diesel, biodiesel-diesel, and oil-biodiesel-diesel were analyzed by (1)H NMR and such data were employed to design four predictive models. Thirty-six mixtures were used in the calibration set and the others in the validation. The PCR and PLS models were evaluated through statistical parameters. Briefly, PLS and PCR models were suitable for the prediction of biodiesel and oil concentration in mineral diesel. Specially, in higher concentration the predicted values were quite similar to the real ones. This fact was evidenced by the low relative errors of high concentrated samples; this means that the prediction of low concentrated samples will probably show high deviation. Therefore, (1)H NMR-PLS and (1)H NMR-PCR methods are fairly useful for the quality control of biodiesel-diesel blends, particularly they are suitable for prediction of concentrations greater than 2%.
authors.affiliation: Laboratório de Combustíveis, Centro de Caracterização e Desenvolvimento de Materiais, Departamento de Engenharia de Materiais, Universidade Federal de São Carlos, Rodovia Washington Luiz, km 235, 13560-971 São Carlos, SP, Brazil. monteiro@ccdm.ufscar.br
authors.forename: Marcos Roberto
authors.initials: MR
authors.lastname: Monteiro
authors.forename: Alessandra Regina Pepe
authors.initials: AR
authors.lastname: Ambrozin
authors.forename: Maiara
authors.initials: M
authors.lastname: da Silva Santos
authors.forename: Elisangela Fabiana
authors.initials: EF
authors.lastname: Boffo
authors.forename: Edenir Rodrigues
authors.initials: ER
authors.lastname: Pereira-Filho
authors.forename: Luciano Morais
authors.initials: LM
authors.lastname: Lião
authors.forename: Antonio Gilberto
authors.initials: AG
authors.lastname: Ferreira
mesh_terms: D004736:Energy-Generating Resources; D005742:Gasoline / Q000032:analysis*; D009682:Magnetic Resonance Spectroscopy / Q000379:methods* / Q000592:standards; D008956:Models, Chemical; D011786:Quality Control; D013024:Soybean Oil
chemical_list: D005742:Gasoline; D013024:Soybean Oil