Focus Session: Theory and Simulations of Macromolecules III - Ionic Polymers

Presentations

• Conformation of Ionic Conjugated Polymers: Molecular Dynamic Simulations

  ORAL

  March 3, 2014, 2:30 PM – March 3, 2014, 2:42 PM

  Authors

  • Sidath Wijesinghe

    • Clemson University Clemson SC 29634

  • Dvora Perahia

    • Clemson University
    • Clemson University Clemson SC 29634
    • Clemson University, Clemson,SC,29634

  • Gary Grest

    • Sandia National Laboratories
    • Sandia National Laboratories, Albuquerque, NM

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• Chain Shapes and Ordering of Conjugated Polymers from Atomstic Simulations

  ORAL

  March 3, 2014, 2:42 PM – March 3, 2014, 2:54 PM

  Authors

  • Wenlin Zhang

    • Pennsylvania State Univ

  • Enrique Gomez

    • Department of Chemical Engineering, The Pennsylvania State University
    • Pennsylvania State Univ

  • Scott Milner

    • Pennsylvania State Univ

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• Atomistic molecular dynamics simulations of the structure of symmetric Polyelectrolyte block copolymer micelle in salt-free aqueous solution

  ORAL

  March 3, 2014, 2:54 PM – March 3, 2014, 3:06 PM

  Authors

  • Rajalakshmi Chockalingam

    • Indian Inst of Tech-Madras

  • Upendra Natarajan

    • Indian Inst of Tech-Madras

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• Coarse-Grained Modeling of Polyelectrolyte Solutions

  ORAL

  March 3, 2014, 3:06 PM – March 3, 2014, 3:18 PM

  Authors

  • Alan R. Denton

    • Department of Physics, North Dakota State University

  • Sylvio May

    • Department of Physics, North Dakota State University

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• Polyelectrolyte complexes and salt: a computational study

  ORAL

  March 3, 2014, 3:18 PM – March 3, 2014, 3:30 PM

  Authors

  • Hanne Antila

    • Aalto University, Department of Chemistry

  • Paul Van Tassel

    • Department of Chemical and Environmental Engineering, Yale University, New Haven, CT, USA.
    • Yale University, Chemical and Environmental Engineering

  • Maria Sammalkorpi

    • Aalto Univ
    • Department of Chemistry, Aalto University, Helsinki, Finland
    • Aalto University, Department of Chemistry

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• Theoretical Study of Polyelectrolyte/homopolymer blends

  ORAL

  March 3, 2014, 3:30 PM – March 3, 2014, 3:42 PM

  Authors

  • Youhai Sun

    • McMaster University

  • Ashkan Dehghan

    • McMaster University

  • An-Chang Shi

    • McMaster University

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• ABSTRACT WITHDRAWN

  March 3, 2014, 3:42 PM – March 3, 2014, 3:54 PM

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• The Swelling of Olympic Gels

  ORAL

  March 3, 2014, 3:54 PM – March 3, 2014, 4:06 PM

  Authors

  • Michael Lang

    • Leibniz Institute of Polymer Research Dresden, Hohe Stra{\ss}e 6, Dresden, Germany

  • Jakob Fischer

    • Leibniz Institute of Polymer Research Dresden, Hohe Stra{\ss}e 6, Dresden, Germany

  • Marco Werner

    • Leibniz Institute of Polymer Research Dresden, Hohe Stra{\ss}e 6, Dresden, Germany

  • Jens-Uwe Sommer

    • Leibniz Institute of Polymer Research Dresden, Hohe Stra{\ss}e 6, Dresden, Germany

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• Highly-correlated Charges in Block Copolyelectrolytes: Charge as a Tool for Morphology Manipulation

  ORAL

  March 3, 2014, 4:06 PM – March 3, 2014, 4:18 PM

  Authors

  • Charles Sing

    • Northwestern Univ
    • Northwestern University

  • Jos Zwanikken

    • Northwestern Univ
    • Northwestern University

  • Monica Olvera de la Cruz

    • Northwestern University
    • Northwestern Univ
    • Northwestern University, Department of Materials Science and Engineering, Evanston, IL 60208
    • Department of Materials Science and Engineering, Northwestern University, Evanston, IL 60208

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• Investigation of the structure of levan polysaccharide chains in water via molecular dynamics simulations

  ORAL

  March 3, 2014, 4:18 PM – March 3, 2014, 4:30 PM

  Authors

  • Deniz Turgut

    • Rensselaer Polytechnic Institute

  • Binnaz Coskunkan

    • Yeditepe University

  • Gulcin Cem

    • Yeditepe University

  • Deniz Rende

    • Rensselaer Polytechnic Institute

  • K. Yalcin Arga

    • Marmara University

  • Seyda Bucak

    • Yeditepe University

  • Nihat Baysal

    • Rensselaer Polytechnic Institute

  • Ebru Toksoy-Oner

    • Marmara University

  • Rahmi Ozisik

    • Rensselaer Polytechnic Institute

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• Modeling the Transport Properties of CO$_{2}$/Polyamine Reactive Mixtures at Multiple Length-Scales

  ORAL

  March 3, 2014, 4:30 PM – March 3, 2014, 4:42 PM

  Authors

  • Salomon Turgman-Cohen

    • Kettering University

  • Fernando Escobedo

    • Cornell University

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• Simulation of a Small Molecule Analogue of a Lithium Ionomer in an External Electric Field

  ORAL

  March 3, 2014, 4:42 PM – March 3, 2014, 4:54 PM

  Authors

  • John McCoy

    • New Mexico Tech

  • Sara Waters

    • Applied Sciences Laboratory, Washingtion State Univ.

  • Amalie Frischknecht

    • Sandia Natl Labs
    • Sandia National Laboratories

  • Jonathan Brown

    • Ohio State Univ.

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• A simulation study of poly(ethylene glycol) in ionic liquids using a physically motivated ab initio force-field

  ORAL

  March 3, 2014, 4:54 PM – March 3, 2014, 5:06 PM

  Authors

  • Eunsong Choi

    • University of Wisconsin-Madison

  • Jesse G. McDaniel

    • University of Wisconsin-Madison

  • J.R. Schmidt

    • University of Wisconsin-Madison

  • Arun Yethiraj

    • University of Wisconsin-Madison

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