Matèria: Chemistry; Engineering; Other
Drets d'accés: info:eu-repo/semantics/openAccess
Identificador del investigador: 0000-0001-6500-4465; 0000-0001-7595-8588; 0000-0002-1819-7820
Publicat per (editora): Universitat Rovira i Virgili (URV)
Idioma: en
Publicacions relacionades: Manuscript in preparation
Resum: 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.
Departament: Enginyeria Química
DOI: 10.34810/data1660
Tipus de document: info:eu-repo/semantics/other
Data alta repositori: 2024-08-25
Autor: Demirbek, Merve Gözdenur; Saluena, Clara; Mackie, Allan D.
Paraules clau: computational chemistry; Poster; Molecular Dynamics
Any de publicació de la dataset: 2025
Acció del programa de finançament: 2021PMF-PIPF-23
Títol del conjunt de dades: Mesoscale Modelling: Simulating Pluronic L64 with Dissipative Particle Dynamics
Repositori URV