Subject matter: Chemistry; Engineering; Other
Access rights: info:eu-repo/semantics/openAccess
Researcher identifier: 0000-0001-6500-4465; 0000-0001-7595-8588; 0000-0002-1819-7820
Published by (editorial): Universitat Rovira i Virgili (URV)
Language: en
Related publications: Manuscript in preparation
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.
Departament: Enginyeria Química
DOI: 10.34810/data1660
Document type: info:eu-repo/semantics/other
Repository ingest date: 2024-08-25
Author: Demirbek, Merve Gözdenur; Saluena, Clara; Mackie, Allan D.
Keywords: computational chemistry; Poster; Molecular Dynamics
Dataset publication year: 2025
Funding program action: 2021PMF-PIPF-23
Dataset title: Mesoscale Modelling: Simulating Pluronic L64 with Dissipative Particle Dynamics
Repositori URV