Conjunts de dades de producció científicaEnginyeria Química

Mesoscale Modelling: Simulating Pluronic L64 with Dissipative Particle Dynamics

  • Identification data

    Identifier:  PC:4561
    Authors:  Demirbek, Merve Gözdenur; Saluena, Clara; Mackie, Allan D.
    Abstract:
    This dataset includes a research poster and its poster abstract. The set of documents was first presented at The 28th Thermodynamics Conference (Delft, the Netherlands) poster presentation on the 4-6th of September 2024. Poster title: "Mesoscale Modelling: Simulating Pluronic L64 with Dissipative Particle Dynamics". Our research aims to evaluate the effectiveness of Dissipative Particle Dynamics (DPD) simulations in modeling Pluronic–water systems. Building on previous studies that used literature-based parameters to simulate other Pluronic block copolymers, this work applies the same parameters to simulate Pluronic L64 at new concentrations. The results show strong agreement with experimental data, demonstrating the transferability and reliability of these mesoscale modeling parameters. This contributes to the development of efficient computational approaches for studying self-assembly in polymer–water systems.
  • Others:

    Document type: info:eu-repo/semantics/other
    DOI: 10.34810/data1660
    Related publications: Manuscript in preparation
    Departament: Enginyeria Química
    Author: Demirbek, Merve Gözdenur; Saluena, Clara; Mackie, Allan D.
    Repository ingest date: 2024-08-25
    Funding program action: 2021PMF-PIPF-23
    Dataset publication year: 2025
    Subject matter: Chemistry; Engineering; Other
    Researcher identifier: 0000-0001-6500-4465; 0000-0001-7595-8588; 0000-0002-1819-7820
    Language: en
    Published by (editorial): Universitat Rovira i Virgili (URV)
    Access rights: info:eu-repo/semantics/openAccess
    Abstract: This dataset includes a research poster and its poster abstract. The set of documents was first presented at The 28th Thermodynamics Conference (Delft, the Netherlands) poster presentation on the 4-6th of September 2024. Poster title: "Mesoscale Modelling: Simulating Pluronic L64 with Dissipative Particle Dynamics". Our research aims to evaluate the effectiveness of Dissipative Particle Dynamics (DPD) simulations in modeling Pluronic–water systems. Building on previous studies that used literature-based parameters to simulate other Pluronic block copolymers, this work applies the same parameters to simulate Pluronic L64 at new concentrations. The results show strong agreement with experimental data, demonstrating the transferability and reliability of these mesoscale modeling parameters. This contributes to the development of efficient computational approaches for studying self-assembly in polymer–water systems.
  • Keywords:

    computational chemistry; Poster; Molecular Dynamics
    Chemistry; Engineering; Other
  • Documents:

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