Screening Brazilian C gasoline quality: Application of the SIMCA chemometric method to gas chromatographic data

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dc.contributor.authorFlumignan, Danilo Luiz
dc.contributor.authorTininis, Aristeu G.
dc.contributor.authorFerreira, Fabricio de O.
dc.contributor.authorOliveira, Jose Eduardo de [UNESP]
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.date.accessioned2014-05-20T15:28:48Z
dc.date.available2014-05-20T15:28:48Z
dc.date.issued2007-07-09
dc.description.abstractA total of 2400 samples of commercial Brazilian C gasoline were collected over a 6-month period from different gas stations in the São Paulo state, Brazil, and analysed with respect to 12 physicochemical parameters according to regulation 309 of the Brazilian Government Petroleum, Natural Gas and Biofuels Agency (ANP). The percentages (v/v) of hydrocarbons (olefins, aromatics and saturated) were also determined. Hierarchical cluster analysis (HCA) was employed to select 150 representative samples that exhibited least similarity on the basis of their physicochemical parameters and hydrocarbon compositions. The chromatographic profiles of the selected samples were measured by gas chromatography with flame ionisation detection and analysed using soft independent modelling of class analogy (SIMCA) method in order to create a classification scheme to identify conform gasolines according to ANP 309 regulation. Following the optimisation of the SIMCA algorithm, it was possible to classify correctly 96% of the commercial gasoline samples present in the training set of 100. In order to check the quality of the model, an external group of 50 gasoline samples (the prediction set) were analysed and the developed SIMCA model classified 94% of these correctly. The developed chemometric method is recommended for screening commercial gasoline quality and detection of potential adulteration. (c) 2007 Elsevier B.V. All rights reserved.en
dc.description.affiliationUniv Estadual Paulista, Inst Quim Araraquara, Dept Quim Organ, Ctr Monitoramento & Pesquisa Qualidade Combust Pe, BR-14800900 Araraquara, SP, Brazil
dc.description.affiliationUnespUniv Estadual Paulista, Inst Quim Araraquara, Dept Quim Organ, Ctr Monitoramento & Pesquisa Qualidade Combust Pe, BR-14800900 Araraquara, SP, Brazil
dc.format.extent128-135
dc.identifierhttp://dx.doi.org/10.1016/j.aca.2007.02.049
dc.identifier.citationAnalytica Chimica Acta. Amsterdam: Elsevier B.V., v. 595, n. 1-2, p. 128-135, 2007.
dc.identifier.doi10.1016/j.aca.2007.02.049
dc.identifier.issn0003-2670
dc.identifier.lattes9352141379363877
dc.identifier.urihttp://hdl.handle.net/11449/38556
dc.identifier.wosWOS:000248469000017
dc.language.isoeng
dc.publisherElsevier B.V.
dc.relation.ispartofAnalytica Chimica Acta
dc.relation.ispartofjcr5.123
dc.relation.ispartofsjr1,512
dc.rights.accessRightsAcesso restrito
dc.sourceWeb of Science
dc.subjectcommercial gasolinept
dc.subjectquality controlpt
dc.subjectANP regulation 309pt
dc.subjectgas chromatographypt
dc.subjectSIMCA modelpt
dc.titleScreening Brazilian C gasoline quality: Application of the SIMCA chemometric method to gas chromatographic dataen
dc.typeArtigo
dcterms.licensehttp://www.elsevier.com/about/open-access/open-access-policies/article-posting-policy
dcterms.rightsHolderElsevier B.V.
unesp.author.lattes9352141379363877
unesp.campusUniversidade Estadual Paulista (Unesp), Instituto de Química, Araraquarapt

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Artigos - Química Orgânica - IQ