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Using Peak Geometry and Shifts in the X‐Ray Spectrum of Carbon from Electron Probe Microanalysis to Determine Thermal Maturity of Organic Matter.

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Title: Using Peak Geometry and Shifts in the X‐Ray Spectrum of Carbon from Electron Probe Microanalysis to Determine Thermal Maturity of Organic Matter.
Authors: Zhou, Haolin1 (AUTHOR) hz78@rice.edu, Costin, Gelu1 (AUTHOR), Birdwell, Justin E.2 (AUTHOR), Hackley, Paul C.3 (AUTHOR), Minisini, Daniel1,4 (AUTHOR), Terlier, Tanguy5 (AUTHOR), Torres, Mark A.1 (AUTHOR)
Source: Geostandards & Geoanalytical Research. Sep2025, Vol. 49 Issue 3, p591-605. 15p.
Subjects: X-ray spectra, Electron probe microanalysis, Aromatization, Carbonization, Organic compounds, Mudstone, Geochemical cycles, Analytical geochemistry
Abstract: During the burial of mudstones, the associated organic matter undergoes gradual thermal maturation, a key process that can influence the reactivity of organic matter during catagenesis, the formation of hydrocarbon deposits and the chemical weathering of mudstones. Conventional methods for assessing the thermal maturity of organic matter often fail to reflect the geochemical heterogeneity between individual organic phases in mudstone samples. Here, we report an alternative, non‐destructive, surficial and micro‐scale (analytical spot size of ~ 300 nm with about 4 μm diffusion depth for micrometre‐size organic grains) method to evaluate the thermal maturity of organic matter in mudstones using the carbon Kα X‐ray spectrum measured by field emission‐electron probe microanalyser (FE‐EPMA). Using this method, we observed correlations between parameter values derived from FE‐EPMA spectra, including the peak position, the peak area and the intra‐sample heterogeneity of these measurements, and independently measured vitrinite/solid bitumen reflectance for a suite of mudstones, representing different age, geological context and burial depth. With the increased values in peak area and position, we identified an increase in the carbon mass fraction of organic matter and the mean nominal oxidation state of carbon approaching zero. These trends, which are consistent with aromatisation and graphitisation, provide the rationale for using FE‐EPMA to estimate the thermal maturity of organic matter. To explore some of these trends in more detail, we employed time‐of‐flight secondary ionisation mass spectrometry, X‐ray photoelectron spectroscopy and optical reflectance measurements on a subset of samples. [ABSTRACT FROM AUTHOR]
Copyright of Geostandards & Geoanalytical Research is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Data: Using Peak Geometry and Shifts in the X‐Ray Spectrum of Carbon from Electron Probe Microanalysis to Determine Thermal Maturity of Organic Matter.
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  Data: <searchLink fieldCode="AR" term="%22Zhou%2C+Haolin%22">Zhou, Haolin</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> hz78@rice.edu</i><br /><searchLink fieldCode="AR" term="%22Costin%2C+Gelu%22">Costin, Gelu</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Birdwell%2C+Justin+E%2E%22">Birdwell, Justin E.</searchLink><relatesTo>2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Hackley%2C+Paul+C%2E%22">Hackley, Paul C.</searchLink><relatesTo>3</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Minisini%2C+Daniel%22">Minisini, Daniel</searchLink><relatesTo>1,4</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Terlier%2C+Tanguy%22">Terlier, Tanguy</searchLink><relatesTo>5</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Torres%2C+Mark+A%2E%22">Torres, Mark A.</searchLink><relatesTo>1</relatesTo> (AUTHOR)
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  Data: <searchLink fieldCode="JN" term="%22Geostandards+%26+Geoanalytical+Research%22">Geostandards & Geoanalytical Research</searchLink>. Sep2025, Vol. 49 Issue 3, p591-605. 15p.
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  Data: <searchLink fieldCode="DE" term="%22X-ray+spectra%22">X-ray spectra</searchLink><br /><searchLink fieldCode="DE" term="%22Electron+probe+microanalysis%22">Electron probe microanalysis</searchLink><br /><searchLink fieldCode="DE" term="%22Aromatization%22">Aromatization</searchLink><br /><searchLink fieldCode="DE" term="%22Carbonization%22">Carbonization</searchLink><br /><searchLink fieldCode="DE" term="%22Organic+compounds%22">Organic compounds</searchLink><br /><searchLink fieldCode="DE" term="%22Mudstone%22">Mudstone</searchLink><br /><searchLink fieldCode="DE" term="%22Geochemical+cycles%22">Geochemical cycles</searchLink><br /><searchLink fieldCode="DE" term="%22Analytical+geochemistry%22">Analytical geochemistry</searchLink>
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  Data: During the burial of mudstones, the associated organic matter undergoes gradual thermal maturation, a key process that can influence the reactivity of organic matter during catagenesis, the formation of hydrocarbon deposits and the chemical weathering of mudstones. Conventional methods for assessing the thermal maturity of organic matter often fail to reflect the geochemical heterogeneity between individual organic phases in mudstone samples. Here, we report an alternative, non‐destructive, surficial and micro‐scale (analytical spot size of ~ 300 nm with about 4 μm diffusion depth for micrometre‐size organic grains) method to evaluate the thermal maturity of organic matter in mudstones using the carbon Kα X‐ray spectrum measured by field emission‐electron probe microanalyser (FE‐EPMA). Using this method, we observed correlations between parameter values derived from FE‐EPMA spectra, including the peak position, the peak area and the intra‐sample heterogeneity of these measurements, and independently measured vitrinite/solid bitumen reflectance for a suite of mudstones, representing different age, geological context and burial depth. With the increased values in peak area and position, we identified an increase in the carbon mass fraction of organic matter and the mean nominal oxidation state of carbon approaching zero. These trends, which are consistent with aromatisation and graphitisation, provide the rationale for using FE‐EPMA to estimate the thermal maturity of organic matter. To explore some of these trends in more detail, we employed time‐of‐flight secondary ionisation mass spectrometry, X‐ray photoelectron spectroscopy and optical reflectance measurements on a subset of samples. [ABSTRACT FROM AUTHOR]
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  Label:
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  Data: <i>Copyright of Geostandards & Geoanalytical Research is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Value: 10.1111/ggr.12611
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        Text: English
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      Pagination:
        PageCount: 15
        StartPage: 591
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      – SubjectFull: X-ray spectra
        Type: general
      – SubjectFull: Electron probe microanalysis
        Type: general
      – SubjectFull: Aromatization
        Type: general
      – SubjectFull: Carbonization
        Type: general
      – SubjectFull: Organic compounds
        Type: general
      – SubjectFull: Mudstone
        Type: general
      – SubjectFull: Geochemical cycles
        Type: general
      – SubjectFull: Analytical geochemistry
        Type: general
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      – TitleFull: Using Peak Geometry and Shifts in the X‐Ray Spectrum of Carbon from Electron Probe Microanalysis to Determine Thermal Maturity of Organic Matter.
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              M: 09
              Text: Sep2025
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