Infrared Attenuated Total Reflectance Spectroscopy: An Innovative Strategy for Analyzing Mineral Components in Energy Relevant Systems

被引:151
作者
Mueller, Christian Menno [1 ,2 ]
Pejcic, Bobby [1 ]
Esteban, Lionel [1 ]
Delle Piane, Claudio [1 ]
Raven, Mark [3 ]
Mizaikoff, Boris [2 ]
机构
[1] CSIRO, Energy Flagship, Kensington, WA 6151, Australia
[2] Univ Ulm, Inst Analyt & Bioanalyt Chem, D-89081 Ulm, Germany
[3] CSIRO, Land & Water, Glen Osmond, SA 5064, Australia
来源
SCIENTIFIC REPORTS | 2014年 / 4卷
关键词
OIL-SHALE; CLAY-MINERALS; X-RAY; DEPOSITS; SMECTITE; KEROGEN; ILLITE; MEMBER; XRD;
D O I
10.1038/srep06764
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
摘要
The direct qualitative and quantitative determination of mineral components in shale rocks is a problem that has not been satisfactorily resolved to date. Infrared spectroscopy (IR) is a non-destructive method frequently used in mineral identification, yet challenging due to the similarity of spectral features resulting from quartz, clay, and feldspar minerals. This study reports on a significant improvement of this methodology by combining infrared attenuated total reflection spectroscopy (IR-ATR) with partial least squares (PLS) regression techniques for classifying and quantifying various mineral components present in a number of different shale rocks. The developed multivariate classification model was calibrated using pure component mixtures of the most common shale minerals (i.e., kaolinite, illite, montmorillonite, calcite, and quartz). Using this model, the IR spectra of 11 real-world shale samples were analyzed and evaluated. Finally, the performance of the developed IR-ATR method was compared with results obtained via X-ray diffraction (XRD) analysis.
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页数:11
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