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<p>Magnetic minerals formed during coal combustion primarily consist of magnetite (Fe<sub>3</sub>O<sub>4</sub>), which plays a critical role in the migration and enrichment behaviors of heavy metals. However, the theoretical understanding of the interaction mechanisms between magnetite and heavy metals in combustion byproducts remains insufficient. To address this gap, Cu(II) and Cr(III) were individually loaded onto coal samples and subjected to simulated combustion at 1100 °C, followed by magnetic separation. Synchrotron-based X-ray absorption fine structure (XAFS) spectroscopy, combined with XRD and SEM–EDS, was specifically employed to investigate the interaction mechanisms between magnetite and heavy metals, explicitly detailing their mineralogical phases and atomic-scale bonding environments. Results demonstrated that the magnetite, generated from the iron minerals inherent in the coal during combustion, exhibited a notable capacity to capture and enrich both Cu(II) and Cr(III). X-ray Absorption Fine Structure (XAFS) analysis revealed that Cr(III) underwent isomorphic lattice substitution into the octahedral sites of magnetite. In contrast, Cu(II) was predominantly enriched via inner-sphere surface complexation, with the local structural parameters explicitly ruling out outer-sphere adsorption and large-scale surface precipitation. These findings fill the theoretical gaps in elucidating heavy metal migration and enrichment processes within magnetic minerals generated from coal combustion, providing a scientific basis for environmental pollution control strategies.</p> Graphical abstract <p></p>

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Molecular mechanisms of copper(II) and chromium(III) interaction with magnetic mineral (Fe3O4) derived from coal combustion by XAFS technique

  • 期刊论文

  • 发表日期：

    2026年4月8日

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  • Shangru Chen,
  • Shengkang Wang,
  • Shuai Tang,
  • Wenfeng Wang,
  • Xuesong Wang

摘要

Magnetic minerals formed during coal combustion primarily consist of magnetite (Fe3O4), which plays a critical role in the migration and enrichment behaviors of heavy metals. However, the theoretical understanding of the interaction mechanisms between magnetite and heavy metals in combustion byproducts remains insufficient. To address this gap, Cu(II) and Cr(III) were individually loaded onto coal samples and subjected to simulated combustion at 1100 °C, followed by magnetic separation. Synchrotron-based X-ray absorption fine structure (XAFS) spectroscopy, combined with XRD and SEM–EDS, was specifically employed to investigate the interaction mechanisms between magnetite and heavy metals, explicitly detailing their mineralogical phases and atomic-scale bonding environments. Results demonstrated that the magnetite, generated from the iron minerals inherent in the coal during combustion, exhibited a notable capacity to capture and enrich both Cu(II) and Cr(III). X-ray Absorption Fine Structure (XAFS) analysis revealed that Cr(III) underwent isomorphic lattice substitution into the octahedral sites of magnetite. In contrast, Cu(II) was predominantly enriched via inner-sphere surface complexation, with the local structural parameters explicitly ruling out outer-sphere adsorption and large-scale surface precipitation. These findings fill the theoretical gaps in elucidating heavy metal migration and enrichment processes within magnetic minerals generated from coal combustion, providing a scientific basis for environmental pollution control strategies.

Graphical abstract