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(a) principal: Kollar, Sara Regina Morais
• Data de Publicação: 2017
• Outros Autores: Novotny, Etelvino H., Nascimento, Cláudia Jorge do, Suarez, Paulo Anselmo Ziani
• Tipo de documento: Artigo
• Idioma: eng
• Título da fonte: Repositório Institucional da UnB
• Texto Completo: http://repositorio.unb.br/handle/10482/30694; http://dx.doi.org/10.21577/0103-5053.20170031
• topic: Biodiesel; Esterificação; Quimiometria

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.