Proceedings of the Symposium on Chemoinformatics
27th Symposium on Chemical Information and Computer Sciences, Tsukuba
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Chemical information of coals read from the near infrared or infrared spectra of them
*Seikou SathoMikio Kaihara
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Pages JP35

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Abstract
Coals have been differently formed influenced by the original plants as materials and the heated history under high pressures in the stratum. Therefore, characterization of coals by using the near infrared or infrared spectra is an object of interest for computer aided chemistry. For, example, what would be the independent components of coals spectra ? What would the loading of the spectra mean ? We took about 70 standard coals samples from CCUJ (Center for Coal Utilization, Japan) and measured all the spectra of about 70 standard coals. Further more, the ultimate analysis, proximate analysis and so on are obtained from CCUJ. We analyzed the correlation between the obtained near infrared or infrared spectra and their many parameters by using classification and regression trees, principal component analysis or the other analysis methods.
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© 2004 The Chemical Society of Japan
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