Application of Unsupervised Chemometric Analysis and Self-organizing Feature Map (SOFM) for the Classification of Lighter Fuels

A variety of lighter fuel samples from different manufacturers (both unevaporated and evaporated) were analyzed using conventional gas chromatography−mass spectrometry (GC-MS) analysis. In total 51 characteristic peaks were selected as variables and subjected to data preprocessing prior to subsequen...

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Veröffentlicht in:Analytical chemistry (Washington) 2010-08, Vol.82 (15), p.6395-6400
Hauptverfasser: Desa, Wan N. S. Mat, Daéid, Niamh Nic, Ismail, Dzulkiflee, Savage, Kathleen
Format: Artikel
Sprache:eng
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Zusammenfassung:A variety of lighter fuel samples from different manufacturers (both unevaporated and evaporated) were analyzed using conventional gas chromatography−mass spectrometry (GC-MS) analysis. In total 51 characteristic peaks were selected as variables and subjected to data preprocessing prior to subsequent analysis using unsupervised chemometric analysis (PCA and HCA) and a SOFM artificial neural network. The results obtained revealed that SOFM acted as a powerful means of evaluating and linking degraded ignitable liquid sample data to their parent unevaporated liquids.
ISSN:0003-2700
1520-6882
DOI:10.1021/ac100381a