journal article·2025-06

Near-infrared as a swift method to quantify dioctahedral smectite content in bentonite

Faisal A. Gread, Valéria Kureková, Ángel Santamaría-López, Marek Osacký, Peter Uhlík

Publisher page

Abstract

Near-infrared spectroscopy is one of the fastest available analytical methods, and it is susceptible to clay minerals in the studied samples or terrains, making it potentially valuable for quantifying clay minerals` content. Nevertheless, its practical applicability for this task needs to be rigorously tested. In this study, we sought to evaluate its effectiveness by retrieving the smectite quantity from controlled binary, ternary, and polymineralic mixtures with common bentonitic components based on the measured spectra using the linear spectral unmixing technique. Encouragingly, the results were auspicious, with an average deviation of (15 % for quartz, and ∼ 7 % for feldspar) binary mixtures, ∼7 % for ternary mixtures, and ∼ 3 % of the actual values for polymineralic mixtures. Combining multiple parameters from different absorption features in the unmixing model provided greater statistical independence. These parameters were selected based on their statistical significance. Stepwise regression indicated that the most dependent parameters regarding smectite content are related to the 2.20 μm (4530 cm −1) absorption feature, these findings support the previous studies which utilized the OH vibration region for smectite quantification. The developed automated unmixing model offers several benefits for quantification: it is fast, straightforward, and neither requires complex sample preparation nor the development of a comprehensive standard library or dataset.
Source: expertdata · Quality: candidate unverified · Source record ↗

Research context

OpenAlex topics: Geochemistry and Geologic Mapping · Soil and Unsaturated Flow · Clay minerals and soil interactions

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (77)

Show source-provided references
1. Spectral mixture analysis of intimate mixtures for lithological mapping10.1016/j.isprsjprs.2023.12.014 ↗
2. Basic Aspects of X-Ray Absorption in Quantitative Diffraction Analysis of Powder Mixtures10.1021/ac60022a002 ↗
3. Hyperspectral Unmixing Overview: Geometrical, Statistical, and Sparse Regression-based Approaches10.1109/JSTARS.2012.2194696 ↗
4. Studies of clays and clay minerals using X-ray powder diffraction and the Rietveld method
5. Visible and Near-infrared Reflectance Spectroscopy
6. Infrared Spectroscopic analyses on the Nature of Water in Montmorillonite10.1346/CCMN.1994.0420606 ↗
7. The influence of structural Fe, Al and Mg on the infrared OH bands in spectra of dioctahedral smectites10.1180/0009855023740063 ↗
8. Reflectance and emission spectroscopy study of four groups of phyllosilicates: smectites, kaolinite-serpentines, chlorites and micas10.1180/claymin.2008.043.1.03 ↗
9. Remote Detection of Clay Minerals10.1016/B978-0-08-100355-8.00014-X ↗
10. Near-infrared Study of Water Adsorption on Homo-Ionic Forms of Montmorillonite10.1007/BF03449119 ↗
11. The structural scheme of attapulgite
12. Quantitative X-ray Mineral Analysis of Clays
13. Automated Full-Pattern Summation of X-Ray Powder Diffraction Data for High-Throughput Quantification of Clay-Bearing Mixtures10.1007/s42860-020-00105-6 ↗
14. Water Molecules and Hydroxyl groups in Montmorillonites as Studied by near infrared Spectroscopy10.1346/CCMN.1981.0290211 ↗
15. Spectral Manipulation and Introduction to Multivariate Analysis10.1016/B978-0-08-100355-8.00004-7 ↗
16. Spectral properties of mixtures of montmorillonite and dark carbon grains: Implications for remote sensing minerals containing chemically and physically adsorbed water10.1029/JB088iB12p10635 ↗
17. Quantitative analysis of mine dusts: an X-ray diffraction method10.1021/ac50099a015 ↗
18. Reflectance spectroscopy: Quantitative analysis techniques for remote sensing applications10.1029/JB089iB07p06329 ↗
19. High spectral resolution reflectance spectroscopy of minerals10.1029/JB095iB08p12653 ↗
20. Orange: data mining toolbox in Python
21. Linear and Nonlinear Unmixing in Hyperspectral Imaging10.1016/B978-0-444-63638-6.00006-1 ↗
22. Pixel Unmixing
23. Montmorillonite Estimation in Clay–Quartz–Calcite Samples from Laboratory SWIR Imaging Spectroscopy: a Comparative Study of Spectral Preprocessings and Unmixing Methods10.3390/rs12111723 ↗
24. Modeling Modal Mineralogy of Laboratory Mixtures of Nontronite and Mafic Minerals from Visible Near-infrared Spectral Data
25. Estimating modal mineralogy of mixtures with phyllosilicates using radiative transfer modeling of visible/near infrared spectra
26. Gaines · 1997
27. Identification and classification of mineralogical associations by VNIR-SWIR spectroscopy in the Tajo basin (Spain)
28. Quantitative determination of imaging spectrometer specifications based on spectral mixing models
29. The structures of vermiculites and their collapse by dehydration
30. The structural relationship of glauconite and mica
31. The structural relationship of nontronites and montmorillonite
32. Bidirectional reflectance spectroscopy: 110.1029/JB086iB04p03039 ↗
33. Hapke · 2012
34. New methods to quantify clay minerals in the uranium deposits hosted in sands of the Chu Sarysu Basin (South Kazakhstan) based on visible and near-infrared field spectrometry
35. Quantification of coffinite (USiO4) in roll-front uranium deposits using visible to near infrared (Vis-NIR) portable field spectroscopy10.1016/j.gexplo.2019.01.003 ↗
36. Fully constrained least squares linear spectral mixture analysis method for material quantification in hyperspectral imagery10.1109/36.911111 ↗
37. Nonlinear Spectral Unmixing with a Linear Mixture of Intimate Mixtures Model10.1109/LGRS.2013.2288921 ↗
38. A Review of Nonlinear Hyperspectral Unmixing Methods10.1109/JSTARS.2014.2320576 ↗
39. Quantification of the mineralogical composition of clays using FTIR spectroscopy10.1016/j.vibspec.2011.12.012 ↗
40. Spectral unmixing10.1109/79.974727 ↗
41. Baseline Studies of the Clay Minerals Society Source Clays: infrared Methods10.1346/CCMN.2001.0490508 ↗
42. NIR Contribution to the Study of Modified Clay Minerals10.1016/B978-0-08-100355-8.00013-8 ↗
43. Identification of components in smectite/kaolinite mixtures10.1180/0009855023720042 ↗
44. Madejová · 2017 · 107
45. Light Scattering and Light Absorbance Separated by Extended Multiplicative Signal Correction. Application to Near-infrared Transmission Analysis of Powder Mixtures10.1021/ac020194w ↗
46. Determination of the Cation Exchange Capacity (CEC) of Clay Minerals using the Complexes of copper(II) Ion with Triethylenetetramine and Tetraethylenepentamine10.1346/CCMN.1999.0470315 ↗
47. Menges
48. Moore · 1997
49. Quantifying mineral abundances of complex mixtures by coupling spectral deconvolution of SWIR spectra (2.1–2.4 μm) and regression tree analysis10.1016/j.geoderma.2013.05.011 ↗
50. Effects of Hyperfine Particles on Reflectance Spectra from 0.3 to 25 μm☆10.1006/icar.1996.5583 ↗
51. Quantitative abundance estimates from bidirectional reflectance measurements10.1029/JB092iB04p0E617 ↗
52. Photometric phase functions of common geologic minerals and applications to quantitative analysis of mineral mixture reflectance spectra10.1029/JB094iB10p13619 ↗
53. On the atomic arrangement and variability of the members of the montmorillonite group (with Plate V.)10.1180/minmag.1938.025.162.05 ↗
54. Spectral reflectance systematics for mixtures of powdered hypersthene, labradorite, and ilmenite10.1029/JB079i011p01615 ↗
55. Mineralogy, Chemistry, and thermal and Surface Properties of various Technological Types of K-Bentonite from the Dolná Ves Deposit (Kremnické vrchy Mts., Western Carpathians, Slovakia)10.1007/s42860-023-00262-4 ↗
56. Fourier Transform infrared Spectroscopy10.1016/B978-0-08-098259-5.00009-3 ↗
57. Hydrothermal synthesis of dioctahedral smectites: the Al–Fe3+ chemical series. Part II: Crystal-chemistry10.1016/j.clay.2014.11.014 ↗
58. Revisiting the cation mass-valence sum approach to assigning infrared OH-bands in dioctahedral smectites in the light of new data from synthetic Ga-Fe 3+ smectites10.1016/j.vibspec.2016.09.022 ↗
59. Quantifying the minerals abundances on planetary surfaces using VIS–NIR spectroscopy, what uncertainties should we expect? General results and application to the case of phyllosilicates and carbonates on Mars10.1016/j.icarus.2021.114498 ↗
61. Nonlinear spectral mixing in desert vegetation10.1016/0034-4257(95)00171-9 ↗
62. Estimating mineral abundances of clay and gypsum mixtures using radiative transfer models applied to visible-near infrared reflectance spectra10.1016/j.icarus.2016.04.034 ↗
63. Laboratory reflectance spectra of clay minerals mixed with Mars analog materials: toward enabling quantitative clay abundances from Mars spectra10.1016/j.icarus.2015.06.035 ↗
64. Modelling Spectral Unmixing of Geological Mixtures: an Experimental Study using Rock Samples10.3390/rs15133300 ↗
65. Limits for the Identification of Smectites mixed with Common Minerals based on Short-Wave infrared Spectroscopy10.3390/min14111098 ↗
66. Detection limits of kaolinites and some common minerals in binary mixtures by short-wave infrared spectroscopy10.1016/j.clay.2024.107269 ↗
67. Mars-large scale mixing of bright and dark surface materials and implications for analysis of spectral reflectance
68. Spectral Mixture Analysis - New strategies for the Analysis of Multispectral Data
69. Quantitative mineralogy of sedimentary rocks with emphasis on clays and with applications to K-Ar dating10.1180/0026461026650055 ↗
70. Identification and Quantitative Analysis of Clay Minerals10.1016/B978-0-08-098259-5.00004-4 ↗
71. Quantitative X-Ray Diffraction Analysis of Clay-Bearing Rocks from Random Preparations10.1346/CCMN.2001.0490604 ↗
72. Simultaneous use of Observed and calculated Standard Profiles in Quantitative XRD Analysis of Minerals by the Multiphase Rietveld Method: the Determination of Pseudorutile in Mineral Sands Products10.1017/S0885715600018510 ↗
73. Therien
74. Optimization of endmembers for spectral mixture analysis10.1016/S0034-4257(96)00122-8 ↗
75. Thermal reactions of smectites—Relation of dehydroxylation temperature to octahedral structure10.1016/j.tca.2007.06.002 ↗
76. Study of the spectral mixture model of soil and vegetation in PoYang Lake area, China10.1080/014311698214875 ↗
77. XRD-based quantitative analysis of clay minerals using reference intensity ratios, mineral intensity factors, Rietveld, and full pattern summation methods: a critical review10.1016/j.sesci.2017.12.002 ↗