{
  "abstract": "Published experimental and Configurational-Bias Monte Carlo (CBMC) data on mixture adsorption in metal-organic frameworks (MOFs) and zeolites show that the thermodynamic non-ideality influences tend to become of decreasing significance with increasing temperature. The non-random two-liquid (NRTL) model, appropriately modified for application to mixture adsorption in microporous materials, with Tdependent τij parameters is of good accuracy to model the published data for three different guest/host combinations. For CO2/CH4 mixture adsorption in IRMOF-1, the NRTL model correctly anticipates that adsorption at 300 K behaves ideally, whereas strong non-idealities prevail at 200 K.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": null,
  "author_total": 2,
  "authors": [
    {
      "name": "Rajamani Krishna",
      "orcid": "0000-0002-4784-8530"
    },
    {
      "name": "Jasper M. van Baten"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/0k4jej7975bhp.bib",
  "cited_by": 0,
  "doi": "10.26434/chemrxiv.15010374/v1",
  "fulltext_url": null,
  "id": "0k4jej7975bhp",
  "issns": [],
  "landing_url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15010374/v1",
  "language": null,
  "licence": "CC-BY",
  "licence_label": "CC BY",
  "licence_source": "journal",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "1604|Metal-Organic Frameworks: Synthesis and Applications"
    ]
  ],
  "openalex": "W7221625363",
  "pdf_url": "https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15010374/v1",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-13",
  "publisher": "American Chemical Society (ACS)",
  "ris": "https://research.draconitic.com/paper/0k4jej7975bhp.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:24Z",
      "native_id": "10.26434/chemrxiv.15010374",
      "source": "chemrxiv",
      "url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15010374/v1"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:1604|Metal-Organic Frameworks: Synthesis and Applications",
      "subfield": "inorganic"
    }
  ],
  "title": "Modelling the Temperature Dependence of Activity Coefficients for Mixture Adsorption in Microporous Materials",
  "title_text": "Modelling the Temperature Dependence of Activity Coefficients for Mixture Adsorption in Microporous Materials",
  "type": "preprint",
  "updated_at": "2026-10-30T12:17:24Z",
  "url": "https://research.draconitic.com/paper/0k4jej7975bhp",
  "venue": "ChemRxiv",
  "versions": []
}