Discrimination of oils and fuels using a portable NIR spectrometer
[Display omitted] •Portable NIR spectrometer was used to discriminate crude oils from used motor oils.•PLS-DA model discriminated crude oils with precision over 94%.•Naphtha was quantified in gasoline with LOD of 4.4 wt%.•Diesel was quantified in kerosene with LOD of 9.3 wt%. Improper mixtures of: m...
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creator | Santos, Francine D. Santos, Layla P. Cunha, Pedro H.P. Borghi, Flávia T. Romão, Wanderson de Castro, Eustáquio V.R. de Oliveira, Elcio C. Filgueiras, Paulo R. |
description | [Display omitted]
•Portable NIR spectrometer was used to discriminate crude oils from used motor oils.•PLS-DA model discriminated crude oils with precision over 94%.•Naphtha was quantified in gasoline with LOD of 4.4 wt%.•Diesel was quantified in kerosene with LOD of 9.3 wt%.
Improper mixtures of: motor oil with crude oil; and derivatives mixed with other derivatives of lesser commercial value were identified in Brazil by companies in the energy sector. This study shows the great response that a portable NIR spectrometer had to discriminate crude oils and derivatives and to quantify them in blends (crude oils with used motor oil; and naphtha, gasoline, diesel, and kerosene). NIR spectra set were acquired in triplicate using a microNIR™ portable spectrometer, where it was possible to discriminate crude oil from used motor oil with 100% sensitivity, specificity, and precision. Regression models can quantify the oil content of a ternary mixture containing two crude oils (light and heavy oil) and a used motor oil with root mean square error of prediction (RMSEP) of 6.2 and 4.8 wt%, and R2p = 0.9871 and 0.9870 for support vector regression (SVR) and partial least squares (PLS), respectively. About the NIR spectra of naphtha, gasoline, diesel, and kerosene, partial least squares discriminant analysis (PLS-DA) allows the identification of any of these products with sensitivity, specificity, and precision of 100%. For the blends of gasoline and naphtha, the limit of detection (LOD), limit of quantification (LOQ), and RMSEP were 1.3, 4.4, and 1.4 wt%, respectively. Likewise, for diesel and kerosene blends, the PLS model allows the identification of the diesel with LOD, LOQ, and RMSEP of 2.8 wt%, 9.3 wt%, and 11.4 wt%, respectively. |
doi_str_mv | 10.1016/j.fuel.2020.118854 |
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•Portable NIR spectrometer was used to discriminate crude oils from used motor oils.•PLS-DA model discriminated crude oils with precision over 94%.•Naphtha was quantified in gasoline with LOD of 4.4 wt%.•Diesel was quantified in kerosene with LOD of 9.3 wt%.
Improper mixtures of: motor oil with crude oil; and derivatives mixed with other derivatives of lesser commercial value were identified in Brazil by companies in the energy sector. This study shows the great response that a portable NIR spectrometer had to discriminate crude oils and derivatives and to quantify them in blends (crude oils with used motor oil; and naphtha, gasoline, diesel, and kerosene). NIR spectra set were acquired in triplicate using a microNIR™ portable spectrometer, where it was possible to discriminate crude oil from used motor oil with 100% sensitivity, specificity, and precision. Regression models can quantify the oil content of a ternary mixture containing two crude oils (light and heavy oil) and a used motor oil with root mean square error of prediction (RMSEP) of 6.2 and 4.8 wt%, and R2p = 0.9871 and 0.9870 for support vector regression (SVR) and partial least squares (PLS), respectively. About the NIR spectra of naphtha, gasoline, diesel, and kerosene, partial least squares discriminant analysis (PLS-DA) allows the identification of any of these products with sensitivity, specificity, and precision of 100%. For the blends of gasoline and naphtha, the limit of detection (LOD), limit of quantification (LOQ), and RMSEP were 1.3, 4.4, and 1.4 wt%, respectively. Likewise, for diesel and kerosene blends, the PLS model allows the identification of the diesel with LOD, LOQ, and RMSEP of 2.8 wt%, 9.3 wt%, and 11.4 wt%, respectively.</description><identifier>ISSN: 0016-2361</identifier><identifier>EISSN: 1873-7153</identifier><identifier>DOI: 10.1016/j.fuel.2020.118854</identifier><language>eng</language><publisher>Kidlington: Elsevier Ltd</publisher><subject>Chemometrics ; Crude oil ; Derivatives ; Diesel ; Diesel fuels ; Discriminant analysis ; Fuels ; Gasoline ; Kerosene ; Least squares ; Mixtures ; Naphtha ; NIR portable ; Portability ; Regression analysis ; Regression models ; Sensitivity ; Support vector machines</subject><ispartof>Fuel (Guildford), 2021-01, Vol.283, p.118854, Article 118854</ispartof><rights>2020 Elsevier Ltd</rights><rights>Copyright Elsevier BV Jan 1, 2021</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c372t-6aabc1cfcd6fb07015564e2f3c118095caef9e3fa99328a23c4b8f446e7c59ae3</citedby><cites>FETCH-LOGICAL-c372t-6aabc1cfcd6fb07015564e2f3c118095caef9e3fa99328a23c4b8f446e7c59ae3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://www.sciencedirect.com/science/article/pii/S0016236120318500$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>314,776,780,3537,27901,27902,65306</link.rule.ids></links><search><creatorcontrib>Santos, Francine D.</creatorcontrib><creatorcontrib>Santos, Layla P.</creatorcontrib><creatorcontrib>Cunha, Pedro H.P.</creatorcontrib><creatorcontrib>Borghi, Flávia T.</creatorcontrib><creatorcontrib>Romão, Wanderson</creatorcontrib><creatorcontrib>de Castro, Eustáquio V.R.</creatorcontrib><creatorcontrib>de Oliveira, Elcio C.</creatorcontrib><creatorcontrib>Filgueiras, Paulo R.</creatorcontrib><title>Discrimination of oils and fuels using a portable NIR spectrometer</title><title>Fuel (Guildford)</title><description>[Display omitted]
•Portable NIR spectrometer was used to discriminate crude oils from used motor oils.•PLS-DA model discriminated crude oils with precision over 94%.•Naphtha was quantified in gasoline with LOD of 4.4 wt%.•Diesel was quantified in kerosene with LOD of 9.3 wt%.
Improper mixtures of: motor oil with crude oil; and derivatives mixed with other derivatives of lesser commercial value were identified in Brazil by companies in the energy sector. This study shows the great response that a portable NIR spectrometer had to discriminate crude oils and derivatives and to quantify them in blends (crude oils with used motor oil; and naphtha, gasoline, diesel, and kerosene). NIR spectra set were acquired in triplicate using a microNIR™ portable spectrometer, where it was possible to discriminate crude oil from used motor oil with 100% sensitivity, specificity, and precision. Regression models can quantify the oil content of a ternary mixture containing two crude oils (light and heavy oil) and a used motor oil with root mean square error of prediction (RMSEP) of 6.2 and 4.8 wt%, and R2p = 0.9871 and 0.9870 for support vector regression (SVR) and partial least squares (PLS), respectively. About the NIR spectra of naphtha, gasoline, diesel, and kerosene, partial least squares discriminant analysis (PLS-DA) allows the identification of any of these products with sensitivity, specificity, and precision of 100%. For the blends of gasoline and naphtha, the limit of detection (LOD), limit of quantification (LOQ), and RMSEP were 1.3, 4.4, and 1.4 wt%, respectively. Likewise, for diesel and kerosene blends, the PLS model allows the identification of the diesel with LOD, LOQ, and RMSEP of 2.8 wt%, 9.3 wt%, and 11.4 wt%, respectively.</description><subject>Chemometrics</subject><subject>Crude oil</subject><subject>Derivatives</subject><subject>Diesel</subject><subject>Diesel fuels</subject><subject>Discriminant analysis</subject><subject>Fuels</subject><subject>Gasoline</subject><subject>Kerosene</subject><subject>Least squares</subject><subject>Mixtures</subject><subject>Naphtha</subject><subject>NIR portable</subject><subject>Portability</subject><subject>Regression analysis</subject><subject>Regression models</subject><subject>Sensitivity</subject><subject>Support vector machines</subject><issn>0016-2361</issn><issn>1873-7153</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><recordid>eNp9kEtLxDAUhYMoOI7-AVcB1x3zatqCGx1fA4OC6Dqk6Y2kdJqatIL_3pS6dnXhcs659zsIXVKyoYTK63ZjJ-g2jLC0oGWZiyO0omXBs4Lm_BitSFJljEt6is5ibAkhRRKt0N29iya4g-v16HyPvcXedRHrvsFzZMRTdP0n1njwYdR1B_hl94bjAGYM_gAjhHN0YnUX4eJvrtHH48P79jnbvz7ttrf7zPCCjZnUujbUWNNIW5OC0DyXApjlJj1MqtxosBVwq6uKs1IzbkRdWiEkFCavNPA1ulpyh-C_Joijav0U-nRSMSGrUrCKyqRii8oEH2MAq4aEp8OPokTNXalWzWBq7kotXSXTzWJKwPDtIKhoHPQGGhcSqGq8-8_-C7uccko</recordid><startdate>20210101</startdate><enddate>20210101</enddate><creator>Santos, Francine D.</creator><creator>Santos, Layla P.</creator><creator>Cunha, Pedro H.P.</creator><creator>Borghi, Flávia T.</creator><creator>Romão, Wanderson</creator><creator>de Castro, Eustáquio V.R.</creator><creator>de Oliveira, Elcio C.</creator><creator>Filgueiras, Paulo R.</creator><general>Elsevier Ltd</general><general>Elsevier BV</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7QF</scope><scope>7QO</scope><scope>7QQ</scope><scope>7SC</scope><scope>7SE</scope><scope>7SP</scope><scope>7SR</scope><scope>7T7</scope><scope>7TA</scope><scope>7TB</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>C1K</scope><scope>F28</scope><scope>FR3</scope><scope>H8D</scope><scope>H8G</scope><scope>JG9</scope><scope>JQ2</scope><scope>KR7</scope><scope>L7M</scope><scope>L~C</scope><scope>L~D</scope><scope>P64</scope></search><sort><creationdate>20210101</creationdate><title>Discrimination of oils and fuels using a portable NIR spectrometer</title><author>Santos, Francine D. ; Santos, Layla P. ; Cunha, Pedro H.P. ; Borghi, Flávia T. ; Romão, Wanderson ; de Castro, Eustáquio V.R. ; de Oliveira, Elcio C. ; Filgueiras, Paulo R.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c372t-6aabc1cfcd6fb07015564e2f3c118095caef9e3fa99328a23c4b8f446e7c59ae3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2021</creationdate><topic>Chemometrics</topic><topic>Crude oil</topic><topic>Derivatives</topic><topic>Diesel</topic><topic>Diesel fuels</topic><topic>Discriminant analysis</topic><topic>Fuels</topic><topic>Gasoline</topic><topic>Kerosene</topic><topic>Least squares</topic><topic>Mixtures</topic><topic>Naphtha</topic><topic>NIR portable</topic><topic>Portability</topic><topic>Regression analysis</topic><topic>Regression models</topic><topic>Sensitivity</topic><topic>Support vector machines</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Santos, Francine D.</creatorcontrib><creatorcontrib>Santos, Layla P.</creatorcontrib><creatorcontrib>Cunha, Pedro H.P.</creatorcontrib><creatorcontrib>Borghi, Flávia T.</creatorcontrib><creatorcontrib>Romão, Wanderson</creatorcontrib><creatorcontrib>de Castro, Eustáquio V.R.</creatorcontrib><creatorcontrib>de Oliveira, Elcio C.</creatorcontrib><creatorcontrib>Filgueiras, Paulo R.</creatorcontrib><collection>CrossRef</collection><collection>Aluminium Industry Abstracts</collection><collection>Biotechnology Research Abstracts</collection><collection>Ceramic Abstracts</collection><collection>Computer and Information Systems Abstracts</collection><collection>Corrosion Abstracts</collection><collection>Electronics & Communications Abstracts</collection><collection>Engineered Materials Abstracts</collection><collection>Industrial and Applied Microbiology Abstracts (Microbiology A)</collection><collection>Materials Business File</collection><collection>Mechanical & Transportation Engineering Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Environmental Sciences and Pollution Management</collection><collection>ANTE: Abstracts in New Technology & Engineering</collection><collection>Engineering Research Database</collection><collection>Aerospace Database</collection><collection>Copper Technical Reference Library</collection><collection>Materials Research Database</collection><collection>ProQuest Computer Science Collection</collection><collection>Civil Engineering Abstracts</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>Computer and Information Systems Abstracts Academic</collection><collection>Computer and Information Systems Abstracts Professional</collection><collection>Biotechnology and BioEngineering Abstracts</collection><jtitle>Fuel (Guildford)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Santos, Francine D.</au><au>Santos, Layla P.</au><au>Cunha, Pedro H.P.</au><au>Borghi, Flávia T.</au><au>Romão, Wanderson</au><au>de Castro, Eustáquio V.R.</au><au>de Oliveira, Elcio C.</au><au>Filgueiras, Paulo R.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Discrimination of oils and fuels using a portable NIR spectrometer</atitle><jtitle>Fuel (Guildford)</jtitle><date>2021-01-01</date><risdate>2021</risdate><volume>283</volume><spage>118854</spage><pages>118854-</pages><artnum>118854</artnum><issn>0016-2361</issn><eissn>1873-7153</eissn><abstract>[Display omitted]
•Portable NIR spectrometer was used to discriminate crude oils from used motor oils.•PLS-DA model discriminated crude oils with precision over 94%.•Naphtha was quantified in gasoline with LOD of 4.4 wt%.•Diesel was quantified in kerosene with LOD of 9.3 wt%.
Improper mixtures of: motor oil with crude oil; and derivatives mixed with other derivatives of lesser commercial value were identified in Brazil by companies in the energy sector. This study shows the great response that a portable NIR spectrometer had to discriminate crude oils and derivatives and to quantify them in blends (crude oils with used motor oil; and naphtha, gasoline, diesel, and kerosene). NIR spectra set were acquired in triplicate using a microNIR™ portable spectrometer, where it was possible to discriminate crude oil from used motor oil with 100% sensitivity, specificity, and precision. Regression models can quantify the oil content of a ternary mixture containing two crude oils (light and heavy oil) and a used motor oil with root mean square error of prediction (RMSEP) of 6.2 and 4.8 wt%, and R2p = 0.9871 and 0.9870 for support vector regression (SVR) and partial least squares (PLS), respectively. About the NIR spectra of naphtha, gasoline, diesel, and kerosene, partial least squares discriminant analysis (PLS-DA) allows the identification of any of these products with sensitivity, specificity, and precision of 100%. For the blends of gasoline and naphtha, the limit of detection (LOD), limit of quantification (LOQ), and RMSEP were 1.3, 4.4, and 1.4 wt%, respectively. Likewise, for diesel and kerosene blends, the PLS model allows the identification of the diesel with LOD, LOQ, and RMSEP of 2.8 wt%, 9.3 wt%, and 11.4 wt%, respectively.</abstract><cop>Kidlington</cop><pub>Elsevier Ltd</pub><doi>10.1016/j.fuel.2020.118854</doi><oa>free_for_read</oa></addata></record> |
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subjects | Chemometrics Crude oil Derivatives Diesel Diesel fuels Discriminant analysis Fuels Gasoline Kerosene Least squares Mixtures Naphtha NIR portable Portability Regression analysis Regression models Sensitivity Support vector machines |
title | Discrimination of oils and fuels using a portable NIR spectrometer |
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