Rapid and Simultaneous Prediction of Eight Diesel Quality Parameters through ATR-FTIR Analysis
Autor(a) principal: | |
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Data de Publicação: | 2018 |
Outros Autores: | , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UNESP |
Texto Completo: | http://dx.doi.org/10.1155/2018/1795624 http://hdl.handle.net/11449/170709 |
Resumo: | Quality assessment of diesel fuel is highly necessary for society, but the costs and time spent are very high while using standard methods. Therefore, this study aimed to develop an analytical method capable of simultaneously determining eight diesel quality parameters (density; flash point; total sulfur content; distillation temperatures at 10% (T10), 50% (T50), and 85% (T85) recovery; cetane index; and biodiesel content) through attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy and the multivariate regression method, partial least square (PLS). For this purpose, the quality parameters of 409 samples were determined using standard methods, and their spectra were acquired in ranges of 4000-650 cm-1. The use of the multivariate filters, generalized least squares weighting (GLSW) and orthogonal signal correction (OSC), was evaluated to improve the signal-to-noise ratio of the models. Likewise, four variable selection approaches were tested: manual exclusion, forward interval PLS (FiPLS), backward interval PLS (BiPLS), and genetic algorithm (GA). The multivariate filters and variables selection algorithms generated more fitted and accurate PLS models. According to the validation, the FTIR/PLS models presented accuracy comparable to the reference methods and, therefore, the proposed method can be applied in the diesel routine monitoring to significantly reduce costs and analysis time. |
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Repositório Institucional da UNESP |
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Rapid and Simultaneous Prediction of Eight Diesel Quality Parameters through ATR-FTIR AnalysisQuality assessment of diesel fuel is highly necessary for society, but the costs and time spent are very high while using standard methods. Therefore, this study aimed to develop an analytical method capable of simultaneously determining eight diesel quality parameters (density; flash point; total sulfur content; distillation temperatures at 10% (T10), 50% (T50), and 85% (T85) recovery; cetane index; and biodiesel content) through attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy and the multivariate regression method, partial least square (PLS). For this purpose, the quality parameters of 409 samples were determined using standard methods, and their spectra were acquired in ranges of 4000-650 cm-1. The use of the multivariate filters, generalized least squares weighting (GLSW) and orthogonal signal correction (OSC), was evaluated to improve the signal-to-noise ratio of the models. Likewise, four variable selection approaches were tested: manual exclusion, forward interval PLS (FiPLS), backward interval PLS (BiPLS), and genetic algorithm (GA). The multivariate filters and variables selection algorithms generated more fitted and accurate PLS models. According to the validation, the FTIR/PLS models presented accuracy comparable to the reference methods and, therefore, the proposed method can be applied in the diesel routine monitoring to significantly reduce costs and analysis time.Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)Ctro. Monitoramento Pesquisa Qualidade Combustiveis Biocombustiveis P.D. São Paulo State University (UNESP), R. Prof. Francisco Degni 55 QuitandinhaInstituto Federal de Educação Ciência e Tecnologia de São Paulo (IFSP) Campus Matão, Rua Estéfano D'avassi, 625 Nova CidadeCtro. Monitoramento Pesquisa Qualidade Combustiveis Biocombustiveis P.D. São Paulo State University (UNESP), R. Prof. Francisco Degni 55 QuitandinhaUniversidade Estadual Paulista (Unesp)Ciência e Tecnologia de São Paulo (IFSP)Nespeca, Maurilio Gustavo [UNESP]Hatanaka, Rafael Rodrigues [UNESP]Flumignan, Danilo LuizDe Oliveira, José Eduardo [UNESP]2018-12-11T16:52:07Z2018-12-11T16:52:07Z2018-01-01info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttp://dx.doi.org/10.1155/2018/1795624Journal of Analytical Methods in Chemistry, v. 2018.2090-88732090-8865http://hdl.handle.net/11449/17070910.1155/2018/17956242-s2.0-850425258862-s2.0-85042525886.pdfScopusreponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengJournal of Analytical Methods in Chemistry0,3230,323info:eu-repo/semantics/openAccess2023-11-02T06:09:53Zoai:repositorio.unesp.br:11449/170709Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462023-11-02T06:09:53Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false |
dc.title.none.fl_str_mv |
Rapid and Simultaneous Prediction of Eight Diesel Quality Parameters through ATR-FTIR Analysis |
title |
Rapid and Simultaneous Prediction of Eight Diesel Quality Parameters through ATR-FTIR Analysis |
spellingShingle |
Rapid and Simultaneous Prediction of Eight Diesel Quality Parameters through ATR-FTIR Analysis Nespeca, Maurilio Gustavo [UNESP] |
title_short |
Rapid and Simultaneous Prediction of Eight Diesel Quality Parameters through ATR-FTIR Analysis |
title_full |
Rapid and Simultaneous Prediction of Eight Diesel Quality Parameters through ATR-FTIR Analysis |
title_fullStr |
Rapid and Simultaneous Prediction of Eight Diesel Quality Parameters through ATR-FTIR Analysis |
title_full_unstemmed |
Rapid and Simultaneous Prediction of Eight Diesel Quality Parameters through ATR-FTIR Analysis |
title_sort |
Rapid and Simultaneous Prediction of Eight Diesel Quality Parameters through ATR-FTIR Analysis |
author |
Nespeca, Maurilio Gustavo [UNESP] |
author_facet |
Nespeca, Maurilio Gustavo [UNESP] Hatanaka, Rafael Rodrigues [UNESP] Flumignan, Danilo Luiz De Oliveira, José Eduardo [UNESP] |
author_role |
author |
author2 |
Hatanaka, Rafael Rodrigues [UNESP] Flumignan, Danilo Luiz De Oliveira, José Eduardo [UNESP] |
author2_role |
author author author |
dc.contributor.none.fl_str_mv |
Universidade Estadual Paulista (Unesp) Ciência e Tecnologia de São Paulo (IFSP) |
dc.contributor.author.fl_str_mv |
Nespeca, Maurilio Gustavo [UNESP] Hatanaka, Rafael Rodrigues [UNESP] Flumignan, Danilo Luiz De Oliveira, José Eduardo [UNESP] |
description |
Quality assessment of diesel fuel is highly necessary for society, but the costs and time spent are very high while using standard methods. Therefore, this study aimed to develop an analytical method capable of simultaneously determining eight diesel quality parameters (density; flash point; total sulfur content; distillation temperatures at 10% (T10), 50% (T50), and 85% (T85) recovery; cetane index; and biodiesel content) through attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy and the multivariate regression method, partial least square (PLS). For this purpose, the quality parameters of 409 samples were determined using standard methods, and their spectra were acquired in ranges of 4000-650 cm-1. The use of the multivariate filters, generalized least squares weighting (GLSW) and orthogonal signal correction (OSC), was evaluated to improve the signal-to-noise ratio of the models. Likewise, four variable selection approaches were tested: manual exclusion, forward interval PLS (FiPLS), backward interval PLS (BiPLS), and genetic algorithm (GA). The multivariate filters and variables selection algorithms generated more fitted and accurate PLS models. According to the validation, the FTIR/PLS models presented accuracy comparable to the reference methods and, therefore, the proposed method can be applied in the diesel routine monitoring to significantly reduce costs and analysis time. |
publishDate |
2018 |
dc.date.none.fl_str_mv |
2018-12-11T16:52:07Z 2018-12-11T16:52:07Z 2018-01-01 |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://dx.doi.org/10.1155/2018/1795624 Journal of Analytical Methods in Chemistry, v. 2018. 2090-8873 2090-8865 http://hdl.handle.net/11449/170709 10.1155/2018/1795624 2-s2.0-85042525886 2-s2.0-85042525886.pdf |
url |
http://dx.doi.org/10.1155/2018/1795624 http://hdl.handle.net/11449/170709 |
identifier_str_mv |
Journal of Analytical Methods in Chemistry, v. 2018. 2090-8873 2090-8865 10.1155/2018/1795624 2-s2.0-85042525886 2-s2.0-85042525886.pdf |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
Journal of Analytical Methods in Chemistry 0,323 0,323 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
application/pdf |
dc.source.none.fl_str_mv |
Scopus reponame:Repositório Institucional da UNESP instname:Universidade Estadual Paulista (UNESP) instacron:UNESP |
instname_str |
Universidade Estadual Paulista (UNESP) |
instacron_str |
UNESP |
institution |
UNESP |
reponame_str |
Repositório Institucional da UNESP |
collection |
Repositório Institucional da UNESP |
repository.name.fl_str_mv |
Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP) |
repository.mail.fl_str_mv |
|
_version_ |
1799964792364990464 |