Out-of-Equilibrium: Structure and Dynamics of Polymers

INVITED · D12 · ID: 773845

Presentations

  • New Computational Tools to Address a Hard Non-equilibrium Problem: Crystallization of Polyethylene

    ORAL · Invited

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    Publication: W. Zhang and R.G. Larson Macromolecules 51:4762-4769 2018; "Direct All-Atom Molecular Dynamics Simulations of the Effects of Short Chain Branching on Polyethylene Oligomer Crystal Nucleation."

    W. Zhang and R.G. Larson ACS Central Sci 4:1545-1550 2018; "Tension-Induced Nematic Phase Separation in Bidisperse Homopolymer Melts."

    W. Zhang and R.G. Larson J. Chem. Phys. 150:244903 2019; "A Metastable Nematic Precursor Accelerates Polyethylene Oligomer Crystallization as Determined by Atomistic Molecular Simulations and Self-Consistent Field Theory."

    W. Zhang and R.G. Larson Macromolecules 53:7650-7657 2020; "Effect of Flow-Induced Nematic Order on Polyethylene Crystal Nucleation."

    Y. Gong, V. Ginzburg, S. Vervoort, J. Den Doelder, and R.G. Larson, J. Rheol., 65:43-57 2021, "Strategy for reducing molecular ensemble size for efficient rheological modeling of commercial polymers."

    Y. Gong, W. Zhang, and R.G. Larson, Macromolecules, 15:6311-6320, "Interfacial Oriented Precursor to Secondary Nucleation Revealed by Molecular Dynamic Simulations"

    Presenters

    • Ronald G Larson

      University of Michigan

    Authors

    • Ronald G Larson

      University of Michigan

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  • Initial Solvent Induced Non-Equilibrium Effect of Polymer Nanocomposites

    ORAL · Invited

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    Publication: Processing method determines the long-term stability of particle dispersions in concentrated nanoparticle/polymer suspensions, Sol Mi Oh, Chae Han Lee, and So Youn Kim*, Soft Matter, 2022, 18, 841–848.

    Initial Solvent-Driven Nonequilibrium Effect on Structure, Properties, and Dynamics of Polymer Nanocomposites, Sol Mi Oh, Mozhdeh Abbasi, Tae Joo Shin, Kay Saalwächter*, and So Youn Kim*,
    Phys. Rev. Lett., 2019, 123, 167801.

    Presenters

    • So Youn Kim

      Seoul Natl Univ, Seoul National University

    Authors

    • So Youn Kim

      Seoul Natl Univ, Seoul National University

    • Sol Mi Oh

      Ulsan Natl Inst of Sci & Tech

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  • Atomistic simulation of microphase separation and flow-induced crystallization above the melting point of entangled polymers under elongational flow

    ORAL · Invited

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    Publication: 1.) Flow-induced crystallization of a polyethylene liquid above the melting temperature and its nonequilibrium phase diagram, M.H. Nafar Sefiddashti, B.J. Edwards, and B. Khomami, Phys. Rev. Res., 2, 013035 (2020).

    2.) Flow-induced phase separation and crystallization in entangled polyethylene solutions under elongational flow, M.H. Nafar Sefiddashti, B.J. Edwards, and B. Khomami, Macromolecules, 53, 6432-6451 (2020) [cover article].

    3.) A thermodynamically inspired method for quantifying phase transitions in polymeric liquids with application to flow-induced crystallization of a polyethylene melt, M.H. Nafar Sefiddashti, B.J. Edwards, and B. Khomami, Macromolecules, 53, 10487-10502 (2020).

    4.) Communication: A method for calculating the nonequilibrium entropy of a flowing polymer melt via atomistic simulation, B.J. Edwards, M.H. Nafar Sefiddashti, and B. Khomami, J. Chem. Phys., 155, 111101 (2021).

    5.) Elucidating the role of network topology dynamics on the coil-stretch transition hysteresis in extensional flow of entangled polymer melts, M. Boudaghi-Khajehnobar, M.H. Nafar Sefiddashti, B.J. Edwards, and B. Khomami, J. Rheol., 66, 551-569 (2022).

    6.) Nonequilibrium thermodynamics of polymeric liquids via atomistic simulation, B.J. Edwards, M.H. Nafar Sefiddashti, and B. Khomami, Entropy, 24, 175 (2022) [selected as an Editors' Choice, feature paper, and cover article].

    Presenters

    • Brian J Edwards

      University of Tennessee Knoxville, University of Tennessee

    Authors

    • Brian J Edwards

      University of Tennessee Knoxville, University of Tennessee

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