¹H NMR and chemometric methods to estimate the octane number in Brazilian C gasolines
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Data
2020
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Resumo
Brazilian gasoline type C can be purchased with octane number as the main difference.
This quality parameter directly affects the price. Intermediate formulations may not be easily
distinguished from conform samples due to similarity in visual appearance and physicochemical
properties. The use of anhydrous ethanol as an additive also influences the octane values of the
product. In this context, the present study describes the use of 1
H nuclear magnetic resonance
spectroscopy (1
H NMR) associated with chemometrics in the characterization and distinction
of gasolines by different octane number. Conform samples of common, premium and blends
of common-premium were used. Models of NMR-PCA (principal component analysis)
and NMR-SIMCA (soft independent modelling of class analogies) showed a good correlation
with the values determined by the standard method. The octane values predicted by the NMRPLS (partial least squares) model achieved a good correlation root mean square errors of
prediction (RMSEP = 0.50), with the values determined by the standard method as well.
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¹H NMR gasoline analysis, Chemometrics, Octane number, Premium gasoline, Common gasoline
Citação
PINTO, Vinícius S. et al. ¹H NMR and chemometric methods to estimate the octane number in Brazilian C gasolines. Journal of the Brazilian Chemical Society, Campinas, v. 31, n. 8, p. 1690-1699, 2020. DOI: 10.21577/0103-5053.20200055. Disponível em: https://jbcs.sbq.org.br/default.asp?ed=302. Acesso em: 16 fev. 2024.