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(es):	Kollar, Sara Regina Morais Novotny, Etelvino H. Nascimento, Cláudia Jorge do Suarez, Paulo Anselmo Ziani
Assunto:	Biodiesel Esterificação Quimiometria
Data de publicação:	Out-2017
Editora:	Sociedade Brasileira de Química
Referência:	KOLLAR, Sara R. M. et al. 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. Journal of the Brazilian Chemical Society, São Paulo, v. 28, n. 10, p. 1917-1925, out. 2017. Disponível em: <http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532017001001917&lng=en&nrm=iso>. Acesso em: 1 fev. 2018. doi: http://dx.doi.org/10.21577/0103-5053.20170031.
Abstract:	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.
Unidade Acadêmica:	Instituto de Química (IQ)
Licença:	Journal of the Brazilian Chemical Society - This is an Open Access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0). Fonte: http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532017001001917&lng=en&nrm=iso. Acesso em: 1 fev. 2018.
DOI:	http://dx.doi.org/10.21577/0103-5053.20170031
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