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Mesoscale Modelling: Simulating Pluronic L64 with Dissipative Particle Dynamics

  • Datos identificativos

    Identificador:  PC:4561
    Autores:  Demirbek, Merve Gözdenur; Saluena, Clara; Mackie, Allan D.
    Resumen:
    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.
  • Otros:

    Materia: Chemistry; Engineering; Other
    Derechos de acceso: info:eu-repo/semantics/openAccess
    Identificador del investigador: 0000-0001-6500-4465; 0000-0001-7595-8588; 0000-0002-1819-7820
    Publicado por (editorial): Universitat Rovira i Virgili (URV)
    Idioma: en
    Publicaciones relacionadas: Manuscript in preparation
    Resumen: 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.
    Departamento: Enginyeria Química
    DOI: 10.34810/data1660
    Tipo de documento: info:eu-repo/semantics/other
    Fecha alta repositorio: 2024-08-25
    Autor: Demirbek, Merve Gözdenur; Saluena, Clara; Mackie, Allan D.
    Palabras clave: computational chemistry; Poster; Molecular Dynamics
    Año de publicación de la dataset: 2025
    Acción del progama de financiación: 2021PMF-PIPF-23
    Título del conjunto de datos: Mesoscale Modelling: Simulating Pluronic L64 with Dissipative Particle Dynamics
  • Palabras clave:

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

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