{
  "abstract": "This study explores the influence of ozone addition on the low-temperature oxidation of 1,3-dioxane, a recently proposed cyclic oxymethylene ether biofuel. Experiments were conducted in a jet-stirred reactor operated slightly above atmospheric pressure over 375–850 K. A new detailed kinetic model was developed, incorporating theoretically calculated rate constants for hydrogen abstraction reactions by atomic oxygen (O), the primary decomposition product of O₃. Experimental results reveal that introducing 1000 ppm of O₃ significantly accelerates fuel reactivity, initiating 1,3-dioxane consumption near 450 K, whereas oxidation without O₃ begins around 550 K. Between 600–700 K, the pronounced negative temperature coefficient (NTC) behavior observed under O₃-free conditions is notably diminished when O₃ is present. Simulations using the new kinetic model successfully reproduce these experimental trends, including fuel conversion and formation of major products. Kinetic analyses demonstrate that O₃-derived O atoms enhance early-stage chain initiation and alter dominant reaction pathways, providing mechanistic insight into O3-assisted low-temperature oxidation chemistry of oxygenated fuels. Novelty and significance statement This study is the first to experimentally and computationally investigate the ozone-initiated low-temperature oxidation of 1,3-dioxane. It introduces a new detailed kinetic mechanism that incorporates ab initio–derived rate constants for hydrogen abstraction by O atoms, the primary reactive species generated from ozone decomposition. The study uniquely demonstrates how ozone addition accelerates dioxygenated cyclic ether consumption, lowers the onset temperature of oxidation by ∼100 K, and suppresses negative temperature coefficient (NTC) behavior, providing unprecedented mechanistic insights into O₃-assisted oxidation of oxygenated biofuels.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": null,
  "author_total": 7,
  "authors": [
    {
      "name": "Caroline Smith Lewin"
    },
    {
      "name": "Huanhuan Wang"
    },
    {
      "name": "Jiabiao Zou"
    },
    {
      "name": "Alvina Mendy"
    },
    {
      "name": "Olivier Herbinet"
    },
    {
      "name": "Jérémy Bourgalais"
    },
    {
      "name": "Frédérique Battin-Leclerc"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/fgtzfhgqz21fk.bib",
  "cited_by": 0,
  "doi": "10.1016/j.proci.2026.106385",
  "fulltext_url": null,
  "id": "fgtzfhgqz21fk",
  "issns": [
    "1540-7489",
    "1540-7489"
  ],
  "landing_url": "https://hal.science/hal-05778075v1",
  "language": "en",
  "licence": "CC-BY-4.0",
  "licence_label": "CC BY 4.0",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "hal",
      "0.phys"
    ],
    [
      "hal",
      "0.spi"
    ],
    [
      "openalex",
      "1507|Advanced Combustion Engine Technologies"
    ]
  ],
  "openalex": "W7214551267",
  "pdf_url": "https://hal.science/hal-05778075/document",
  "pmcid": null,
  "pmid": null,
  "published": "2026-09-27",
  "publisher": "Elsevier",
  "ris": "https://research.draconitic.com/paper/fgtzfhgqz21fk.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:47Z",
      "native_id": "hal-05778075",
      "source": "hal",
      "url": "https://hal.science/hal-05778075v1"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "hal:0.phys",
      "subfield": "general"
    }
  ],
  "title": "Ozone-initiated low-temperature oxidation of 1,3-dioxane",
  "title_text": "Ozone-initiated low-temperature oxidation of 1,3-dioxane",
  "type": "peer-reviewed",
  "updated_at": "2026-10-30T12:17:47Z",
  "url": "https://research.draconitic.com/paper/fgtzfhgqz21fk",
  "venue": "Proceedings of the Combustion Institute",
  "versions": []
}