Time Domain-NMR Combined with Chemometrics Analysis: An Alternative Tool for Monitoring Diesel Fuel Quality

Autor(es)

Santos, Poliana M. ^[1] ; Amais, Renata S. ^[2] ; Colnago, Luiz A. ^[3] ; Rinnan, Asmund ^[4] ; Monteiro, Marcos R. ^[5]

Afiliação do(s) autor(es)

^[1] Fed Technol Univ Parana, Dept Biol & Chem, BR-80230901 Curitiba, Parana - Brazil

^[2] Univ Sao Carlos, Dept Chem, BR-13565905 Sao Paulo - Brazil

^[3] EMBRAPA Instrumentacao, BR-13560970 Sao Paulo - Brazil

^[4] Univ Copenhagen, Fac Life Sci, Dept Food Sci, Qual & Technol, DK-1165 Copenhagen - Denmark

^[5] Univ Fed Sao Carlos, Dept Mat Engn, BR-13565905 Sao Paulo - Brazil

• Tipo de documento: Artigo Científico
• Fonte: ENERGY & FUELS; v. 29, n. 4, p. 2299-2303, APR 2015.
• Citações Web of Science: 8

Resumo

Time-domain nuclear magnetic resonance (TD-NMR) was explored as a rapid method for simultaneous assessment of the quality parameters in commercial diesel samples (B5 diesel-biodiesel blend). A principal component analysis (PCA) obtained with the relaxation decay curves revealed tight and well-separated clusters, allowing discrimination of the diesel samples according to the sulfur content: 10 (S10), 500 (S500), and 1800 (S1800) mg kg(-1). Classification models based on the soft independent modeling of class analogy (SIMCA) showed a good discrimination power with a percentage of correct classification ranging from 90% (for S500 diesel samples) to 100% (for S10 and S1800 diesel samples). Partial least-squares regression (PLSR) was used to estimate the cetane index, density, flash point, and temperature achieved during distillation to obtain 50% of the distilled (T50) physicochemical parameters in the commercial diesel samples. The best PLSR models were obtained with two latent variables, providing a standard error of prediction (RMSEP) of 0.60, 2.37 kg m(-3), 3.24, and 2.20 degrees C for the cetane index, density, flash point, and T50, respectively, which represents the accuracy of the models. The results support the application of TD-NMR to evaluate the quality of B5 diesel, providing a simple, rapid, and nondestructive method for the petrofuel industry. (AU)

• Processo FAPESP: 10/17387-7 - Avaliação de técnicas espectroanalíticas e procedimentos de preparo de amostras para a determinação de enxofre em biodiesel e misturas com diesel
• Beneficiário: Renata Stábile Amais
• Modalidade de apoio: Bolsas no Brasil - Doutorado