{
  "abstract": "In this study, magnesium oxide nanoparticles (MgO NPs) were synthesized via a green method using olive pomace extract as a natural reducing and stabilizing agent. XRD, FTIR, SEM-EDX, TG/DTG, and BET analyses confirmed the formation of crystalline, quasi-spherical MgO with a cubic structure and an average crystallite size of ∼13 nm. The MgO NPs were applied for the removal of Congo Red (CR) dye from aqueous solutions, achieving 91.5% removal within 30 min and over 95% under optimal conditions (pH ≈ 7, dose = 0.2 g, C 0 = 20 mg L-1, T = 298 K). Equilibrium data fitted the Dubinin-Radushkevich isotherm, and kinetics followed a pseudo-second-order model, indicating chemisorption as the dominant mechanism. Thermodynamic parameters indicated spontaneous (ΔG° = -31.16 to -31.43 kJ mol-1) and exothermic (ΔH° = -27.21 kJ mol-1) adsorption, with increased disorder at the solid-liquid interface (ΔS° = +13.50 J (mol-1 K-1)) and a slight decrease in adsorption at higher temperatures. DFT and MD studies provided molecular-level insights, showing strong electrostatic and charge-transfer interactions between CR sulfonate groups and Mg2+ sites, supported by a low HOMO-LUMO gap (∼2.83 eV) and favorable adsorption configurations. These results demonstrate that green-synthesized MgO NPs from olive pomace are efficient and environmentally friendly adsorbents for dye removal from wastewater.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": null,
  "author_total": 13,
  "authors": [
    {
      "name": "Sabrina Mechati"
    },
    {
      "name": "Meriem Zamouche"
    },
    {
      "name": "Hichem Tahraoui"
    },
    {
      "name": "Zakaria Laggoun"
    },
    {
      "name": "Oumnia Rayane Benkouachi"
    },
    {
      "name": "Nasreddine Hadjadj"
    },
    {
      "name": "Nora Cherb"
    },
    {
      "name": "Sonia Cherif"
    },
    {
      "name": "Mohammed Kebir"
    },
    {
      "name": "Mouni Lotfi"
    },
    {
      "name": "Aymen Amine Assadi"
    },
    {
      "name": "Ahmed Amine Azzaz"
    },
    {
      "name": "A Amrane"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/49b2vfd7s5zxx.bib",
  "cited_by": 2,
  "doi": "10.1039/d6ra02871c",
  "fulltext_url": null,
  "id": "49b2vfd7s5zxx",
  "issns": [
    "2046-2069"
  ],
  "landing_url": "https://hal.science/hal-05741228v1",
  "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"
    ],
    [
      "openalex",
      "2312|Adsorption and biosorption for pollutant removal"
    ]
  ],
  "openalex": "W7172032087",
  "pdf_url": "https://hal.science/hal-05741228/document",
  "pmcid": null,
  "pmid": "42540247",
  "published": "2026-10-16",
  "publisher": "Royal Society of Chemistry",
  "ris": "https://research.draconitic.com/paper/49b2vfd7s5zxx.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:58Z",
      "native_id": "hal-05741228",
      "source": "hal",
      "url": "https://hal.science/hal-05741228v1"
    }
  ],
  "subjects": [
    {
      "field": "earth",
      "origin": "openalex:2312|Adsorption and biosorption for pollutant removal",
      "subfield": "hydrology-soils"
    }
  ],
  "title": "New insight into the eco-friendly synthesis of MgO NPs using olive pomace extract: combined experimental and DFT study for Congo red adsorption",
  "title_text": "New insight into the eco-friendly synthesis of MgO NPs using olive pomace extract: combined experimental and DFT study for Congo red adsorption",
  "type": "peer-reviewed",
  "updated_at": "2026-10-30T12:17:58Z",
  "url": "https://research.draconitic.com/paper/49b2vfd7s5zxx",
  "venue": "RSC Advances",
  "versions": []
}