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Article

Influence of Branching on the Configurational and Dynamical Properties of Entangled Polymer Melts

Materials Science and Engineering Division, National Institute of Standards and Technology, Gaithersburg, MD 20899, USA
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Polymers 2019, 11(6), 1045; https://doi.org/10.3390/polym11061045
Received: 22 March 2019 / Revised: 5 June 2019 / Accepted: 6 June 2019 / Published: 14 June 2019
(This article belongs to the Special Issue Theory and Simulations of Entangled Polymers)
We probe the influence of branching on the configurational, packing, and density correlation function properties of polymer melts of linear and star polymers, with emphasis on molecular masses larger than the entanglement molecular mass of linear chains. In particular, we calculate the conformational properties of these polymers, such as the hydrodynamic radius R h , packing length p, pair correlation function g ( r ) , and polymer center of mass self-diffusion coefficient, D, with the use of coarse-grained molecular dynamics simulations. Our simulation results reproduce the phenomenology of simulated linear and branched polymers, and we attempt to understand our observations based on a combination of hydrodynamic and thermodynamic modeling. We introduce a model of “entanglement” phenomenon in high molecular mass polymers that assumes polymers can viewed in a coarse-grained sense as “soft” particles and, correspondingly, we model the emergence of heterogeneous dynamics in polymeric glass-forming liquids to occur in a fashion similar to glass-forming liquids in which the molecules have soft repulsive interactions. Based on this novel perspective of polymer melt dynamics, we propose a functional form for D that can describe our simulation results for both star and linear polymers, covering both the unentangled to entangled polymer melt regimes. View Full-Text
Keywords: polymers; entanglement; branching, packing length; translational diffusion coefficient; hydrodynamic radius; hyperuniformity; decoupling; packing length; glass-formation polymers; entanglement; branching, packing length; translational diffusion coefficient; hydrodynamic radius; hyperuniformity; decoupling; packing length; glass-formation
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MDPI and ACS Style

Chremos, A.; Douglas, J.F. Influence of Branching on the Configurational and Dynamical Properties of Entangled Polymer Melts. Polymers 2019, 11, 1045. https://doi.org/10.3390/polym11061045

AMA Style

Chremos A, Douglas JF. Influence of Branching on the Configurational and Dynamical Properties of Entangled Polymer Melts. Polymers. 2019; 11(6):1045. https://doi.org/10.3390/polym11061045

Chicago/Turabian Style

Chremos, Alexandros, and Jack F. Douglas 2019. "Influence of Branching on the Configurational and Dynamical Properties of Entangled Polymer Melts" Polymers 11, no. 6: 1045. https://doi.org/10.3390/polym11061045

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