Universal shape characteristics for the mesoscopic star-shaped polymer via dissipative particle dynamics simulations

  • O. Kalyuzhnyi
  • , J. M. Ilnytskyi
  • , Yu Holovatch
  • , C. Von Ferber

    Research output: Contribution to journalArticlepeer-review

    Abstract

    In this paper we study the shape characteristics of star-like polymers in various solvent quality using a mesoscopic level of modeling. The dissipative particle dynamics simulations are performed for the homogeneous and four different heterogeneous star polymers with the same molecular weight. We analyse the gyration radius and asphericity at the poor, good and θ-solvent regimes. Detailed explanation based on interplay between enthalpic and entropic contributions to the free energy and analyses on of the asphericity of individual branches are provided to explain the increase of the apsphericity in θ-solvent regime.

    Original languageEnglish
    Article number215101
    JournalJournal of Physics Condensed Matter
    Volume30
    Issue number21
    Early online date6 Apr 2018
    DOIs
    Publication statusPublished - 30 Apr 2018

    Funding

    This work was supported in part by FP7 EU IRSES project No. 612707 ‘Dynamics of and in Complex Systems’ and No. 612669 ‘Structure and Evolution of Complex Systems with Applications in Physics and Life Science’. JI acknowledges Alexander Blumen for stimulating discussions towards the interpretation of the result. It is our pleasure to acknowledge Yu Kalyuzhnyi for useful comments on the manuscript.

    Keywords

    • dissipative particle dynamics
    • star-like polymer
    • θ-solvent

    ASJC Scopus subject areas

    • General Materials Science
    • Condensed Matter Physics

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