{
  "abstract": "Selecting solvents for polymeric materials is challenging because the target solute is rarely a single well-defined molecular species, but rather a system with chemical, physical, and formulation complexity. To address this issue, this short review compares two “inverse-method” workflows in which solvent-screening data are used to reconstruct effective descriptors of such ill-defined solutes. Hansen solubility parameters (HSP) provide a pragmatic representation of solubility by translating solvent-screening data into a spherical compatibility domain, but their predictive scope remains constrained by the “like dissolves like” paradigm. COSMO-RS backfitting, a largely overlooked inverse extension of COSMO-RS, uses the same experimental logic to reconstruct an effective σ-profile, enabling solvent ranking in a thermodynamic framework without requiring an explicit polymer structure. Using cellulose triacetate as a stringent benchmark, the review shows that the two approaches are best viewed as sequentially complementary: HSP provides a first operational and visually intuitive map, whereas COSMO-RS backfitting offers greater predictive value for ranking new pure solvents when geometric similarity is no longer sufficiently discriminating.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": null,
  "author_total": 5,
  "authors": [
    {
      "name": "Jean-Marie Aubry"
    },
    {
      "name": "Evamaria Hofmann"
    },
    {
      "name": "Florian Laubé"
    },
    {
      "name": "Théophile Gaudin"
    },
    {
      "name": "Véronique Nardello-Rataj"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/1zzmh997xw8er.bib",
  "cited_by": 1,
  "doi": "10.1016/j.cocis.2026.102044",
  "fulltext_url": null,
  "id": "1zzmh997xw8er",
  "issns": [
    "1359-0294",
    "1879-0399"
  ],
  "landing_url": "https://hal.science/hal-05734333v1",
  "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",
      "1.chim.poly"
    ],
    [
      "hal",
      "1.chim.theo"
    ],
    [
      "openalex",
      "2204|Phase Equilibria and Thermodynamics"
    ]
  ],
  "openalex": "W7166537763",
  "pdf_url": "https://hal.science/hal-05734333/document",
  "pmcid": null,
  "pmid": null,
  "published": "2026-09-01",
  "publisher": "Elsevier",
  "ris": "https://research.draconitic.com/paper/1zzmh997xw8er.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:24Z",
      "native_id": "hal-05734333",
      "source": "hal",
      "url": "https://hal.science/hal-05734333v1"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "hal:1.chim.poly",
      "subfield": "materials-polymers"
    },
    {
      "field": "chemistry",
      "origin": "hal:1.chim.theo",
      "subfield": "theoretical"
    }
  ],
  "title": "Solubility prediction for ill-defined polymers: A critical comparison of Hansen parameters and COSMO-RS backfitting",
  "title_text": "Solubility prediction for ill-defined polymers: A critical comparison of Hansen parameters and COSMO-RS backfitting",
  "type": "peer-reviewed",
  "updated_at": "2026-10-30T12:17:24Z",
  "url": "https://research.draconitic.com/paper/1zzmh997xw8er",
  "venue": "Current Opinion in Colloid & Interface Science",
  "versions": []
}