{
  "abstract": "Equilibrium and non-equilibrium molecular dynamics simulations are used to decipher the mechanisms that rule the diffusion and permeability of pure fluids and mixtures inside a cage-like nanoporous material. In more detail, we consider the case of methane, carbon dioxide and their mixture within the RHO zeolite -which is made up of nanometric cages connected by narrow subnanometric windows. The fluid molecular structure is found to significantly affect both the self and collective dynamics; while carbon dioxide (CO 2 ) transport slows down in a monotonous fashion upon increasing the fluid adsorbed amount n a , methane (CH 4 ) transport displays a non-monotonous behavior upon increasing n a . We identify that such differences arise from the fluid organization",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": null,
  "author_total": 5,
  "authors": [
    {
      "name": "Loriane Didier"
    },
    {
      "name": "Alan Sam"
    },
    {
      "name": "Cecilia Herrero"
    },
    {
      "name": "Rodolfo Venegas"
    },
    {
      "name": "Benoit Coasne"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/6gc85rs3rhhsf.bib",
  "cited_by": 0,
  "doi": "10.1016/j.micromeso.2025.114021",
  "fulltext_url": null,
  "id": "6gc85rs3rhhsf",
  "issns": [
    "1387-1811",
    "1873-3093"
  ],
  "landing_url": "https://hal.science/hal-05770794v1",
  "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.chim"
    ],
    [
      "hal",
      "0.phys"
    ],
    [
      "openalex",
      "1604|Zeolite Catalysis and Synthesis"
    ]
  ],
  "openalex": "W7117293229",
  "pdf_url": "https://hal.science/hal-05770794/document",
  "pmcid": null,
  "pmid": null,
  "published": "2026-09-30",
  "publisher": "Elsevier",
  "ris": "https://research.draconitic.com/paper/6gc85rs3rhhsf.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:43Z",
      "native_id": "hal-05770794",
      "source": "hal",
      "url": "https://hal.science/hal-05770794v1"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:1604|Zeolite Catalysis and Synthesis",
      "subfield": "inorganic"
    }
  ],
  "title": "Self-diffusion and permeability of methane, carbon dioxide, and their mixture in zeolite: Cage effect, fluid redistribution, and nanosegregation",
  "title_text": "Self-diffusion and permeability of methane, carbon dioxide, and their mixture in zeolite: Cage effect, fluid redistribution, and nanosegregation",
  "type": "peer-reviewed",
  "updated_at": "2026-10-30T12:17:43Z",
  "url": "https://research.draconitic.com/paper/6gc85rs3rhhsf",
  "venue": "Microporous and Mesoporous Materials",
  "versions": []
}