{
  "abstract": "Transforming recycled polyethylene terephthalate (rPET) waste into high-value polyols offers a promising approach for sustainable polymer production. In this study, rPET/PEG-containing oligomeric polyols were synthesized through the glycolysis of rPET using polyethylene glycol 400 (PEG400) as the depolymerizing agent at an rPET:PEG400 molar ratio of 1:2. Zinc acetate dihydrate (Zn(OAc)2·2H2O) served as a transesterification catalyst, with its concentration (0.00–2.00 wt% of rPET) systematically varied to assess its effect on depolymerization efficiency and physicochemical properties. Without a catalyst, glycolysis led to incomplete rPET depolymerization. However, only 0.20 wt% Zn(OAc)2·2H2O enabled complete depolymerization, achieving a 100% conversion and a turnover frequency (TOF) of 19.89 h-1. The optimized rPET-based polyol mixture showed a hydroxyl value of 137.17 mg KOH g-1, acid value of 1.74 mg KOH g-1, and average functionality of 3.51, indicating suitability as a reactive precursor. The polyol also exhibited a broad operational temperature range (8.17–222.67°C), facilitating mixing and processing. Furthermore, DFT calculations revealed two possible glycolysis pathways and theoretically supported that Zn(OAc)2·2H2O lowers the activation energy (Ea) of the rate-determining step. These results suggest an effective catalytic route for converting rPET into oligomeric PET/PEG-containing polyol mixtures as potential precursors for polyurethane and related polymer synthesis.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": null,
  "author_total": 9,
  "authors": [
    {
      "name": "Panachai Thusanaphoom"
    },
    {
      "name": "Nismar Parneam"
    },
    {
      "name": "Sineenard Songsri"
    },
    {
      "name": "Wichain Chailad"
    },
    {
      "name": "Yutthana Wongnongwa"
    },
    {
      "name": "Narongrit Sosa"
    },
    {
      "name": "Jennifer Rodon-Fores"
    },
    {
      "name": "Fouzia Boulmedais"
    },
    {
      "name": "Nathapong Sukhawipat"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/83rct2r86b1r3.bib",
  "cited_by": 0,
  "doi": "10.1016/j.molstruc.2026.147752",
  "fulltext_url": null,
  "id": "83rct2r86b1r3",
  "issns": [
    "0022-2860",
    "0022-2860"
  ],
  "landing_url": "https://hal.science/hal-05772442v1",
  "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.sdv"
    ],
    [
      "hal",
      "1.sdv.ib"
    ],
    [
      "hal",
      "2.sdv.ib.bio"
    ],
    [
      "openalex",
      "2507|Polymer crystallization and properties"
    ]
  ],
  "openalex": "W7214705877",
  "pdf_url": "https://hal.science/hal-05772442/document",
  "pmcid": null,
  "pmid": null,
  "published": "2026-09-29",
  "publisher": "Elsevier",
  "ris": "https://research.draconitic.com/paper/83rct2r86b1r3.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:44Z",
      "native_id": "hal-05772442",
      "source": "hal",
      "url": "https://hal.science/hal-05772442v1"
    }
  ],
  "subjects": [
    {
      "field": "biology",
      "origin": "hal:1.sdv.ib",
      "subfield": "systems-synthetic"
    },
    {
      "field": "chemistry",
      "origin": "hal:0.chim",
      "subfield": "general"
    }
  ],
  "title": "Mechanistic Insights into Zinc Acetate Dihydrate–Catalyzed Depolymerization of Recycled PET for Polyol Production: A Combined Experimental and DFT Study",
  "title_text": "Mechanistic Insights into Zinc Acetate Dihydrate–Catalyzed Depolymerization of Recycled PET for Polyol Production: A Combined Experimental and DFT Study",
  "type": "peer-reviewed",
  "updated_at": "2026-10-30T12:17:44Z",
  "url": "https://research.draconitic.com/paper/83rct2r86b1r3",
  "venue": "Journal of Molecular Structure",
  "versions": []
}