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Determination of chlorite, muscovite, albite and quartz in claystones and clay shales by infrared spectroscopy and partial least-squares regression
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SYSNO ASEP 0449356 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Determination of chlorite, muscovite, albite and quartz in claystones and clay shales by infrared spectroscopy and partial least-squares regression Author(s) Ritz, M. (CZ)
Vaculíková, Lenka (UGN-S) RID, ORCID
Plevová, Eva (UGN-S) RID, ORCID
Matýsek, D. (CZ)
Mališ, J. (CZ)Number of authors 5 Source Title Acta geodynamica et geomaterialia. - : Ústav struktury a mechaniky hornin AV ČR, v. v. i. - ISSN 1214-9705
Roč. 9, č. 4 (2012), s. 511-520Number of pages 10 s. Publication form Online - E Language eng - English Country CZ - Czech Republic Keywords claystone and clay shale ; infrared spectroscopy ; chemometrics ; chlorite ; muscovite Subject RIV CB - Analytical Chemistry, Separation R&D Projects ED2.1.00/03.0082 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) Institutional support UGN-S - RVO:68145535 UT WOS 000312605700009 Annotation The objective of this work is the chemometric quantification of minerals in rocks. A chemometric method was developed for the determination of chlorite, muscovite, albite and quartz in claystones and clay shales using infrared spectroscopy. Bromide pellets and diffuse reflectance were used to measure the infrared spectra; principal component analysis and partial least-squares regression were used as chemometric methods. Spectral regions (4000-3000 cm(-1) and 1300-400 cm(-1)) containing important spectral information were chosen by principal component analysis. The calibration models were created by a partial least-squares regression. The mean relative error and relative standard deviation were calculated for the assessment of accuracy and reproducibility. The value of the mean relative error was about 10 % for most of the calibration models. The value of the relative standard deviation ranged from 1.1 to 3.0 % for most calibration models based on diffuse reflectance spectra and from 4.0 to 9.2 % for most calibration models based on spectra obtained with bromide pellets. Workplace Institute of Geonics Contact Lucie Gurková, lucie.gurkova@ugn.cas.cz, Tel.: 596 979 354 Year of Publishing 2016 Electronic address https://www.irsm.cas.cz/materialy/acta_content/2012_04/9.Ritz.pdf
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