Publication:
Classification of weathered petroleum oils by multi-way analysis of gas chromatography-mass spectrometry data using PARAFAC2 parallel factor analysis
Classification of weathered petroleum oils by multi-way analysis of gas chromatography-mass spectrometry data using PARAFAC2 parallel factor analysis
dc.contributor.author | Ebrahimi Mohammadi, Diako | en_US |
dc.contributor.author | Li, Jianfeng | en_US |
dc.contributor.author | Hibbert, D. Brynn | en_US |
dc.date.accessioned | 2021-11-25T13:02:11Z | |
dc.date.available | 2021-11-25T13:02:11Z | |
dc.date.issued | 2007 | en_US |
dc.description.abstract | The application of multi-way parallel factor analysis (PARAFAC2) is described for the classification of different kinds of petroleum oils using GC-MS. Oils were subjected to controlled weathering for 2, 7 and 15 days and PARAFAC2 was applied to the three-way GC-MS data set (MS × GC × sample). The classification patterns visualized in scores plots and it was shown that fitting multi-way PARAFAC2 model to the natural three-way structure of GC-MS data can lead to the successful classification of weathered oils. The shift of chromatographic peaks was tackled using the specific structure of the PARAFAC2 model. A new preprocessing of spectra followed by a novel use of analysis of variance (ANOVA)-least significant difference (LSD) variable selection method were proposed as a supervised pattern recognition tool to improve classification among the highly similar diesel oils. This lead to the identification of diagnostic compounds in the studied diesel oil samples. © 2007 Elsevier B.V. All rights reserved. | en_US |
dc.identifier.issn | 0021-9673 | en_US |
dc.identifier.uri | http://hdl.handle.net/1959.4/38988 | |
dc.language | English | |
dc.language.iso | EN | en_US |
dc.rights | CC BY-NC-ND 3.0 | en_US |
dc.rights.uri | https://creativecommons.org/licenses/by-nc-nd/3.0/au/ | en_US |
dc.source | Legacy MARC | en_US |
dc.subject.other | Crude petroleum | en_US |
dc.subject.other | Data structures | en_US |
dc.subject.other | Diesel fuels | en_US |
dc.subject.other | Gas chromatography | en_US |
dc.subject.other | Mass spectrometry | en_US |
dc.subject.other | Mathematical models | en_US |
dc.title | Classification of weathered petroleum oils by multi-way analysis of gas chromatography-mass spectrometry data using PARAFAC2 parallel factor analysis | en_US |
dc.type | Journal Article | en |
dcterms.accessRights | open access | |
dspace.entity.type | Publication | en_US |
unsw.accessRights.uri | https://purl.org/coar/access_right/c_abf2 | |
unsw.description.publisherStatement | The Journal of Chromatography A is published by Elsevier, http://www.elsevier.com/wps/find/homepage.cws_home | en_US |
unsw.identifier.doiPublisher | http://dx.doi.org/10.1016/j.chroma.2007.07.085 | en_US |
unsw.relation.faculty | Science | |
unsw.relation.ispartofissue | 1-2 | en_US |
unsw.relation.ispartofjournal | Journal of Chromatography A | en_US |
unsw.relation.ispartofpagefrompageto | 163-170 | en_US |
unsw.relation.ispartofvolume | 1166 | en_US |
unsw.relation.originalPublicationAffiliation | Ebrahimi Mohammadi, Diako, Chemistry, Faculty of Science, UNSW | en_US |
unsw.relation.originalPublicationAffiliation | Li, Jianfeng, Chemistry, Faculty of Science, UNSW | en_US |
unsw.relation.originalPublicationAffiliation | Hibbert, D. Brynn, Chemistry, Faculty of Science, UNSW | en_US |
unsw.relation.school | School of Chemistry | * |
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