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  2. Dataset belonging to publication "Exploring guest molecule uptake in pH-responsive polyelectrolyte microgels via Monte Carlo simulations"
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    Datenpaket: Dataset belonging to publication "Exploring guest molecule uptake in pH-responsive polyelectrolyte microgels via Monte Carlo simulations"

    Alternativer Identifier:
    -
    Verwandter Identifier:
    (Is Supplement To) 10.1039/D4SM00950A - DOI
    Ersteller/in:
    Strauch, Christian https://orcid.org/0000-0001-9895-3552 [RWTH Aachen University]

    Roß, Lars https://orcid.org/0009-0009-2518-4700 [RWTH Aachen University]

    Schneider, Stefanie https://orcid.org/0000-0002-4399-0388 [RWTH Aachen University]
    Beitragende:
    -
    Titel:
    Dataset belonging to publication "Exploring guest molecule uptake in pH-responsive polyelectrolyte microgels via Monte Carlo simulations"
    Weitere Titel:
    -
    Beschreibung:
    (Abstract) In this study, the uptake of oppositely charged guest molecules in a pH-responsive polyelectrolyte microgel modeled as a bead-spring network was systematically investigated. For this purpose, Monte Carlo simulations were used. To narrow down system complexity, the guest molecules were modeled as charged hard spheres.
    (Method) Metropolis Monte Carlo simulations
    (Technical Info) Software for creating plots: Gnuplot, software for visualization: VMD, software for simulation (Molsim, write an e-mail to authors for access to the code), software for starting simulations (write an e-mail to authors for access to the code), all simulations were carried out on High Performance Cluster CLAIX2018-GPU
    Schlagworte:
    Microgels
    drug delivery
    pH-sensitive
    Monte Carlo simulations
    Zugehörige Informationen:
    -
    Sprache:
    Englisch
    Herausgeber/in:
    IPC-RWTH Aachen University
    Erstellungsjahr:
    Fachgebiet:
    Chemistry
    Objekttyp:
    Dataset
    Datenquelle:
    (Instrument) CLAIX2018
    Verwendete Software:
    Software für Datenerhebung
    Software:
    Molsim - 6.4.7
    Alternative Software:
    -
    Verwendete Software:
    Software für Datenerhebung
    Software:
    simlab - 1.0
    Alternative Software:
    -
    Verwendete Software:
    Software für Datenbetrachtung
    Software:
    gnuplot - 5.2
    Alternative Software:
    -
    Verwendete Software:
    Software für Datenbetrachtung
    Software:
    VMD - 1.9.3
    Alternative Software:
    -
    Datenverarbeitung:
    -
    Erscheinungsjahr:
    Rechteinhaber/in:
    Förderung:
    Deutsche Forschungsgemeinschaft - (SFB 985: Functional Microgels and Microgel Systems) 191948804
    Name Speichervolumen Metadaten Upload Aktion
    Status:
    Publiziert
    Eingestellt von:
    CStrauch
    Erstellt am:
    Archivierungsdatum:
    2024-11-27
    Archivgröße:
    359,0 MB
    Archiversteller:
    nicoleparks
    Archiv-Prüfsumme:
    18009423132cc46fd63a57bdada886a7 (MD5)
    Embargo-Zeitraum:
    -