{
  "abstract": "Toxic metals commonly adsorb onto clay minerals in soils, yet the mechanisms governing multimetal competitive adsorption remain poorly understood. Using molecular-level information derived from first-principles calculations, we develop a surface complexation modeling (SCM) framework that accurately predicts competitive adsorption to clay minerals. The framework represents the first bottom-up approach capable of reproducing experimental multimetal adsorption behavior on clay surfaces. Essentially, this approach enables quantitative prediction of toxic metal migration in natural aqueous and sedimentary systems, which is useful for designing remediation strategies that support environmental protection and public health.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": null,
  "author_total": 4,
  "authors": [
    {
      "name": "Pengyuan Gao"
    },
    {
      "name": "Xiandong Liu"
    },
    {
      "name": "Xiancai Lu"
    },
    {
      "name": "Christophe Tournassat"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/750p7eq7zxm1h.bib",
  "cited_by": 6,
  "doi": "10.1073/pnas.2527567123",
  "fulltext_url": null,
  "id": "750p7eq7zxm1h",
  "issns": [
    "0027-8424",
    "1091-6490"
  ],
  "landing_url": "https://insu.hal.science/insu-05604514v1",
  "language": "en",
  "licence": "CC-BY-NC-ND-4.0",
  "licence_label": "CC BY-NC-ND 4.0",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by-nc-nd/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "hal",
      "0.sdu"
    ],
    [
      "openalex",
      "2312|Adsorption and biosorption for pollutant removal"
    ]
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  "openalex": "W7131253371",
  "pdf_url": "https://insu.hal.science/insu-05604514/document",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-01",
  "publisher": "National Academy of Sciences",
  "ris": "https://research.draconitic.com/paper/750p7eq7zxm1h.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:45Z",
      "native_id": "insu-05604514",
      "source": "hal",
      "url": "https://insu.hal.science/insu-05604514v1"
    }
  ],
  "subjects": [
    {
      "field": "earth",
      "origin": "openalex:2312|Adsorption and biosorption for pollutant removal",
      "subfield": "hydrology-soils"
    }
  ],
  "title": "An accurate and efficient framework for modeling multimetal competitive adsorption on clay minerals",
  "title_text": "An accurate and efficient framework for modeling multimetal competitive adsorption on clay minerals",
  "type": "peer-reviewed",
  "updated_at": "2026-10-30T12:17:45Z",
  "url": "https://research.draconitic.com/paper/750p7eq7zxm1h",
  "venue": "Proceedings of the National Academy of Sciences of the United States of America",
  "versions": []
}