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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

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

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Author(s):
Santos, Poliana M. [1] ; Amais, Renata S. [2] ; Colnago, Luiz A. [3] ; Rinnan, Asmund [4] ; Monteiro, Marcos R. [5]
Total Authors: 5
Affiliation:
[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
Total Affiliations: 5
Document type: Journal article
Source: ENERGY & FUELS; v. 29, n. 4, p. 2299-2303, APR 2015.
Web of Science Citations: 8
Abstract

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)

FAPESP's process: 10/17387-7 - Assessment of spectroanalytical techniques and sample preparation procedures for the determination of sulfur in biodiesel and diesel blends
Grantee:Renata Stábile Amais
Support Opportunities: Scholarships in Brazil - Doctorate