Document Detail


Coal analysis by diffuse reflectance near-infrared spectroscopy: Hierarchical cluster and linear discriminant analysis.
MedLine Citation:
PMID:  19071779     Owner:  NLM     Status:  In-Data-Review    
Abstract/OtherAbstract:
An extensive study was carried out in coal samples coming from several origins trying to establish a relationship between nine coal properties (moisture (%), ash (%), volatile matter (%), fixed carbon (%), heating value (kcal/kg), carbon (%), hydrogen (%), nitrogen (%) and sulphur (%)) and the corresponding near-infrared spectral data. This research was developed by applying both quantitative (partial least squares regression, PLS) and qualitative multivariate analysis techniques (hierarchical cluster analysis, HCA; linear discriminant analysis, LDA), to determine a methodology able to estimate property values for a new coal sample. For that, it was necessary to define homogeneous clusters, whose calibration equations could be obtained with accuracy and precision levels comparable to those provided by commercial online analysers and, study the discrimination level between these groups of samples attending only to the instrumental variables. These two steps were performed in three different situations depending on the variables used for the pattern recognition: property values, spectral data (principal component analysis, PCA) or a combination of both. The results indicated that it was the last situation what offered the best results in both two steps previously described, with the added benefit of outlier detection and removal.
Authors:
M T Bona; J M Andrés
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Publication Detail:
Type:  Journal Article     Date:  2007-01-30
Journal Detail:
Title:  Talanta     Volume:  72     ISSN:  1873-3573     ISO Abbreviation:  Talanta     Publication Date:  2007 Jun 
Date Detail:
Created Date:  2008-12-16     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  2984816R     Medline TA:  Talanta     Country:  England    
Other Details:
Languages:  eng     Pagination:  1423-31     Citation Subset:  -    
Affiliation:
Instituto de Carboquímica, CSIC, Procesos Químicos, Miguel Luesma Castán, n. 4, 50018 Zaragoza, Spain.
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