Título:	Nuclear magnetic resonance (1.40 T) and mid infrared (FTIR-ATR) associated with chemometrics as analytical methods for the analysis of methyl ester yield obtained by esterification reaction.
Autor:	KOLLAR, S. R. M. NOVOTNY, E. H. NASCIMENTO, C. J. do SUAREZ, P. A. Z.
Afiliación:	SARA R. M. KOLLAR, UnB; ETELVINO HENRIQUE NOVOTNY, CNPS; CLAUDIA J. DO NASCIMENTO, UNIRIO; PAULO A. Z. SUAREZ, UnB.
Año:	2017
Referencia:	Journal of the Brazilian Chemical Society, v. 28, n. 10, p. 1917-1925, out. 2017.
Descripción:	In this work, we compared 1.40 T nuclear magnetic resonance (NMR) to 7.05 T (60 and 300 MHz for proton, respectively), and mid-infrared with attenuated total reflectance (FTIR‑ATR), associated with chemometrics methods, for the quantification of the reaction yield during esterification of fatty acids with methanol. The results showed that the integrated intensities of the ester C=O stretching region, relative to the total C=O stretching region, is useful to quantify the fatty acid methyl ester (FAME) concentration. Comparing the results obtained by the different final models: NMR (1.40 T and 7.05 T), FTIR-ATR using multivariate partial last squares regression (PLS) with orthogonal signal correction (OSC), and univariate ordinary least squares (OLS), the NMR of 1.40 T (60 MHz for proton) showed more advantages when compared to a high field spectrometer, due to the non-use of cryogenic and solvents and less laborious work for obtaining results.
NAL Thesaurus:	biodiesel
Palabras clave:	Esterificação Infravermelho médio Q-RMN Quimiometria
DOI:	http://dx.doi.org/10.21577/0103-5053.20170031
Tipo de Material:	Artigo de periódico
Acceso:	openAccess
Aparece en las colecciones:	Artigo em periódico indexado (CNPS)