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

O. Kalyuzhnyi; J. M. Ilnytskyi; Yu Holovatch; C. Von Ferber

doi:10.1088/1361-648X/aabc16

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 journal › Article › peer-review

7 Citations (Scopus)

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 language	English
Article number	215101
Journal	Journal of Physics Condensed Matter
Volume	30
Issue number	21
Early online date	6 Apr 2018
DOIs	https://doi.org/10.1088/1361-648X/aabc16
Publication status	Published - 30 Apr 2018

Keywords

dissipative particle dynamics
star-like polymer
θ-solvent

ASJC Scopus subject areas

General Materials Science
Condensed Matter Physics

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10.1088/1361-648X/aabc16

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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.",

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AU - Kalyuzhnyi, O.

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AU - Holovatch, Yu

AU - Von Ferber, C.

PY - 2018/4/30

Y1 - 2018/4/30

N2 - 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.

AB - 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.

KW - dissipative particle dynamics

KW - star-like polymer

KW - θ-solvent

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M1 - 215101

ER -

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

Abstract

Keywords

ASJC Scopus subject areas

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