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Field-Based Simulations of Nanostructured Polyelectrolyte Gels

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Materials for Energy Infrastructure

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Abstract

Nanostructured, responsive hydrogels composed of oppositely charged triblock copolymers with charged end-blocks and neutral, hydrophilic mid-blocks in aqueous solution were recently discovered. Due to electrostatic interactions, the end-blocks microphase separate and form physical cross-links that are bridged by the mid-blocks. Since these hydrogels are hydrophilic and have the ability to respond to a variety of stimuli including temperature and salt concentration, they are promising for a variety of biomedical applications including, but not limited to, drug delivery and tissue scaffolds. For such applications, there is a need to understand how to control the structure of the hydrogel. To this end, we use a new, efficient model along with self-consistent field theory to determine the structure as a function of polymer concentration and end-block fraction. After identifying numerous phases including a sphere phase, a hexagonally packed cylinder phase, a lamellar phase, and regions of phase coexistence, we determine how the polymer functionality can be tuned to manipulate the resulting phase diagram.

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Author information

Authors and Affiliations

  1. Materials Science and Engineering Division, National Institute of Standards and Technology, Gaithersburg, MD, USA

    Debra J. Audus

  2. Materials Research Laboratory, Department of Chemical Engineering, and Materials Department, University of California, Santa Barbara, CA, USA

    Glenn H. Fredrickson

Authors
  1. Debra J. Audus
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  2. Glenn H. Fredrickson
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Corresponding author

Correspondence to Debra J. Audus .

Editor information

Editors and Affiliations

  1. National Metal and Materials Technology Center (MTEC), Pathumthani, Thailand

    Werasak Udomkichdecha

  2. National Metal and Materials Technology Center (MTEC), Pathumthani, Thailand

    Anchalee Mononukul

  3. BAM Bundesanstalt für Materialforschung und -prüfung, Berlin, Germany

    Thomas Böllinghaus

  4. BAM Bundesanstalt für Materialforschung und -prüfung, Berlin, Germany

    Jürgen Lexow

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© 2016 Springer Science+Business Media Singapore

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Audus, D.J., Fredrickson, G.H. (2016). Field-Based Simulations of Nanostructured Polyelectrolyte Gels. In: Udomkichdecha, W., Mononukul, A., Böllinghaus, T., Lexow, J. (eds) Materials for Energy Infrastructure. Springer, Singapore. https://doi.org/10.1007/978-981-287-724-6_1

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