title: Simultaneous determination of methanol and ethanol in gasoline using NIR spectroscopy: effect of gasoline composition.
abstract: Near infrared (NIR) spectroscopy was employed for simultaneous determination of methanol and ethanol contents in gasoline. Spectra were collected in the range from 714 to 2500 nm and were used to construct quantitative models based on partial least squares (PLS) regression. Samples were prepared in the laboratory and the PLS regression models were developed using the spectral range from 1105 to 1682 nm, showing a root mean square error of prediction (RMSEP) of 0.28% (v/v) for ethanol for both PLS-1 and PLS-2 models and of 0.31 and 0.32% (v/v) for methanol for the PLS-1 and PLS-2 models, respectively. A RMSEP of 0.83% (v/v) was obtained for commercial samples. The effect of the gasoline composition was investigated, it being verified that some solvents, such as toluene and o-xylene, interfere in ethanol content prediction, while isooctane, o-xylene, m-xylene and p-xylene interfere in the methanol content prediction. Other spectral ranges were investigated and the range 1449-1611 nm showed the best results.
authors.affiliation: Instituto de Química, UNICAMP, CP 6154, CEP 13084-971, Campinas, Brazil.
authors.forename: Heitor L
authors.initials: HL
authors.lastname: Fernandes
authors.forename: Ivo M
authors.initials: IM
authors.lastname: Raimundo
authors.forename: Celio
authors.initials: C
authors.lastname: Pasquini
authors.forename: Jarbas J R
authors.initials: JJ
authors.lastname: Rohwedder
mesh_terms: D000431:Ethanol / Q000032:analysis*; D005742:Gasoline / Q000032:analysis* / Q000592:standards; D000432:Methanol / Q000032:analysis*; D019265:Spectroscopy, Near-Infrared / Q000379:methods*; D014992:Xylenes / Q000032:analysis
chemical_list: D005742:Gasoline; D014992:Xylenes; D000431:Ethanol; D000432:Methanol