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Quantifying the potential for mineral carbonation of processed kimberlite with the Rietveld-PONKCS method

  • Baolin Wang ORCID logo EMAIL logo , Nina Zeyen , Sasha Wilson ORCID logo , Rebecca Funk and Connor C. Turvey
Published/Copyright: April 1, 2025
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American Mineralogist
From the journal American Mineralogist Volume 110 Issue 4

Abstract

Quantitative phase analysis (QPA) using the Rietveld method and X-ray diffraction (XRD) patterns is useful for predicting the reactivity of a rock to carbon dioxide (CO2) and for quantifying mineral carbonation. Lizardite and smectites in kimberlite are reactive to CO2, but they are structurally disordered and cannot be quantified using the standard Rietveld approach. In this study, the Partial Or No Known Crystal Structure (PONKCS) method was used to model the peak profiles of smectite and lizardite to account for turbostratic stacking disorder in synthetic samples of processed kimberlite. Lizardite and montmorillonite PONKCS models were made using XRD patterns collected with three X-ray diffractometers: two XRDs from the same manufacturer and of similar model (XRDs B1 and B2) and another XRD from a different manufacturer (XRD A1). Five synthetic samples of processed kimberlite of known compositions were prepared and used to test the results of these PONKCS models for data collected using all three instruments. The results provide a total bias ranging from 4.8–14.1 wt% using correctly calibrated, instrument-specific PONKCS models. We also tested the sensitivity of the PONKCS method to changes in instrument geometry: PONKCS models calibrated for one instrument (XRD B1) were used in refinements with XRD data collected on an instrument made by a different manufacturer (XRD A1), or on a similar instrument made by the same company but having a slightly different geometry (XRD B2). Results were highly inaccurate when PONKCS models calibrated to XRD B1 were used with patterns collected on XRD A1 (32.1–71.6 wt% total bias for our weighed mixtures). Our results show that the smaller differences in instrument parameters between XRD B1 and XRD B2 can also lead to inconsistent and less accurate QPA results using PONKCS (9.8–32.7 wt% total bias). Therefore, correct calibration of PONKCS models to a specific XRD instrument is required for accurate QPA and quantification of CO2 mineralization in clay-rich rocks.

Keywords: Rietveld method; mineral carbonation; carbon mineralization; PONKCS; lizardite; smectites

† Present address: Department of Earth Sciences, University of Geneva, Rue des Maraîchers 13, 1205 Geneva, Switzerland.

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Received: 2023-06-16
Accepted: 2024-07-11
Published Online: 2025-04-01
Published in Print: 2025-04-28

© 2025 Mineralogical Society of America

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https://doi.org/10.2138/am-2023-9103
Keywords for this article
Rietveld method; mineral carbonation; carbon mineralization; PONKCS; lizardite; smectites

Articles in the same Issue

  1. Magnetic collapse and low conductivity of Fe3N in the deep interiors of Earth-like planets
  2. RamanCrystalHunter: A new program and database for processing, analysis, and identification of Raman spectra
  3. Quantifying the potential for mineral carbonation of processed kimberlite with the Rietveld-PONKCS method
  4. Ferric vs. ferrous arsenate amorphous precursors: Properties and controls on scorodite mineralization
  5. Two modes of terrestrial phosphide formation
  6. Late-stage microstructures in Chang’E-5 basalt and implications for the evolution of lunar ferrobasalt
  7. Synthesis and characterization of Fe-poor olivine with applications to the surface of Mercury
  8. Macro- to nanoscale investigation unlocks gold and silver enrichment by lead-bismuth metallic melts in the Switchback epithermal deposit, southern Mexico
  9. Multi-analytical characterization of an unusual epidote-supergroup mineral from Malmkärra, Sweden: Toward the new (OH)-analog of dollaseite-(Ce)
  10. Titanite and allanite as a record of multistage co-mobility of Ti-REE-Nb-As during metamorphism in the Central Alps
  11. Unusual sulfide-rich magmatic apatite crystals from >2.7 Ga Abitibi Greenstone Belt, Canada
  12. Jianmuite, Z r T i 4 + T i 5 3 + A l 3 O 16 , a new mineral from the Allende meteorite and from chromitite near Kangjinla, Tibet, China
  13. Cabrerite, NiMg2(AsO4)2·8H2O, a new old mineral: The ordered intermediate between annabergite and hörnesite
  14. Letter
  15. Discovery of an Earthborn quasicrystal approximant
  16. Presentation of the 2024 Roebling Medal of the Mineralogical Society of America to Nancy L. Ross
  17. Acceptance of the 2024 Roebling Medal of the Mineralogical Society of America
  18. Presentation of the Dana Medal of the Mineralogical Society of America for 2024 to Fabrizio Nestola
  19. Acceptance of the Dana Medal of the Mineralogical Society of America for 2024
  20. Presentation of the Mineralogical Society of America Award for 2024 to Denis Fougerouse
  21. Acceptance of the Mineralogical Society of America Award for 2024
  22. Book Review
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