Application of low-field and medium-resolution H-1 NMR spectroscopy combined with chemometric methods for automotive gasoline quality control

Author(s)

de Aguiar, Leticia Magalhaes ^[1] ; Bona, Evandro ^[2] ; Colnago, Luiz Alberto ^[3] ; Rohwedder, Jarbas J. Rodrigues ^[4] ; Killner, Mario Henrique M. ^[1]

Affiliation

^[1] Univ Estadual Londrina, Dept Quim, BR-86057970 Londrina, Parana - Brazil

^[2] Univ Tecnol Fed Parana, Programa Posgrad Tecnol Alimentos, BR-87301899 Campo Mourao, PR - Brazil

^[3] Embrapa Instrumentacao, Rua 15 Novembro 1452, BR-13560970 Sao Carlos, SP - Brazil

^[4] Univ Estadual Campinas, Inst Quim, BR-13084971 Campinas, SP - Brazil

• Document type: Journal article
• Source: FUEL; v. 282, DEC 15 2020.
• Web of Science Citations: 0

Abstract

This work describes the application of low-field and medium-resolution H-1 NMR (LF-H-1 NMR) combined with PLS and SVM multivariate regression techniques for fast prediction of five fundamental quality parameters of commercial Brazilian gasoline (specific gravity, distillation temperatures of 50 and 90 percent of recovered and olefinic and aromatic content). All these five parameters are of paramount importance to predict the fuel quality and the application of the developed PLS and SVM models showed prediction errors compared to the reference methodologies applied for these essays. Nevertheless, it is important to highlight that in a different way of the reference methodologies, such as distillation or chromatographic methods, the application of LF-H-1 NMR combined with PLS or SVM models enables the fast determination of those five parameters directly from a single LF-H-1 NMR spectrum, which is acquired without any sample pre-treatment nor dilution in deuterated solvents, and this whole process takes no more than 15 s. (AU)

• FAPESP's process: 14/22126-9 - Development of time domain NMR spectrometers and methods for chemical analyses in field
• Grantee: Luiz Alberto Colnago
• Support Opportunities: Regular Research Grants