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

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MetadadosDescriçãoIdioma
Autor(es): dc.creatorKollar, Sara Regina Morais-
Autor(es): dc.creatorNovotny, Etelvino H.-
Autor(es): dc.creatorNascimento, Cláudia Jorge do-
Autor(es): dc.creatorSuarez, Paulo Anselmo Ziani-
Data de aceite: dc.date.accessioned2024-10-23T15:57:54Z-
Data de disponibilização: dc.date.available2024-10-23T15:57:54Z-
Data de envio: dc.date.issued2018-01-04-
Data de envio: dc.date.issued2018-01-04-
Data de envio: dc.date.issued2017-10-
Fonte completa do material: dc.identifierhttp://repositorio.unb.br/handle/10482/30694-
Fonte completa do material: dc.identifierhttp://dx.doi.org/10.21577/0103-5053.20170031-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/capes/896540-
Descrição: dc.descriptionIn 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.-
Descrição: dc.descriptionInstituto de Química (IQ)-
Formato: dc.formatapplication/pdf-
Idioma: dc.languageen-
Publicador: dc.publisherSociedade Brasileira de Química-
Direitos: dc.rightsAcesso Aberto-
Direitos: dc.rightsJournal 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.-
Palavras-chave: dc.subjectBiodiesel-
Palavras-chave: dc.subjectEsterificação-
Palavras-chave: dc.subjectQuimiometria-
Título: dc.titleNuclear 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-
Tipo de arquivo: dc.typelivro digital-
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