{
  "abstract": "This work provides a mechanistic perspective on the role of surface oxygen intermediates in the reaction kinetics of the high-temperature reverse water-gas shift (rWGS) reaction. Above 500 °C, the redox mechanism is generally accepted, typically assuming CO 2 dissociation as the rate-determining step on Ni supported catalysts. However, our microkinetic analysis, with experiments the varying CO 2 /H 2 ratios within a range of 500–800 °C, reveals that the hydrogenation of surface oxygen intermediates is as important as CO 2 dissociation. Data were collected using two different nickel catalysts (0.5 wt% and 5 wt% Ni/CeZrO 4 ), although only the intrinsic kinetic data over the 0.5 wt% Ni/CeZrO 4 were used for model development and regression analysis. Degree of Rate Control (DRC) analysis demonstrates that the relative importance of these two steps shifts as a function of the CO 2 /H 2 feed ratios and temperature. Based on this insight, we developed a Langmuir-Hinshelwood-Hougen-Watson (LHHW) model, incorporating both rate-determining steps. This model captures how the surface oxygen coverage controls overall reaction rate by affecting the apparent reaction orders and activation energy.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": null,
  "author_total": 3,
  "authors": [
    {
      "name": "Y. Han"
    },
    {
      "name": "N. Guilhaume"
    },
    {
      "name": "Y. Schuurman"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/8f32jrsbse6fg.bib",
  "cited_by": 0,
  "doi": "10.1016/j.cej.2026.181945",
  "fulltext_url": null,
  "id": "8f32jrsbse6fg",
  "issns": [
    "1385-8947"
  ],
  "landing_url": "https://hal.science/hal-05770746v1",
  "language": "en",
  "licence": "CC-BY",
  "licence_label": "CC BY",
  "licence_source": "journal",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "hal",
      "0.chim"
    ],
    [
      "hal",
      "0.sde"
    ],
    [
      "hal",
      "1.chim.cata"
    ],
    [
      "hal",
      "1.sde.es"
    ],
    [
      "openalex",
      "1503|Catalysts for Methane Reforming"
    ]
  ],
  "openalex": "W7213172911",
  "pdf_url": null,
  "pmcid": null,
  "pmid": null,
  "published": "2026-09-30",
  "publisher": "Elsevier",
  "ris": "https://research.draconitic.com/paper/8f32jrsbse6fg.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:43Z",
      "native_id": "hal-05770746",
      "source": "hal",
      "url": "https://hal.science/hal-05770746v1"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "hal:1.chim.cata",
      "subfield": "catalysis"
    },
    {
      "field": "earth",
      "origin": "hal:0.sde",
      "subfield": "environmental-science"
    }
  ],
  "title": "Beyond CO₂ dissociation: The pivotal role of O* surface species in reverse water-gas shift kinetics over nickel",
  "title_text": "Beyond CO₂ dissociation: The pivotal role of O* surface species in reverse water-gas shift kinetics over nickel",
  "type": "peer-reviewed",
  "updated_at": "2026-10-30T12:17:43Z",
  "url": "https://research.draconitic.com/paper/8f32jrsbse6fg",
  "venue": "Chemical Engineering Journal",
  "versions": []
}