Impact of ionic aggregate structure on ionomer mechanical properties from coarse-grained molecular dynamics simulations.

  • Janani Sampath, Lisa M Hall
  • Published 2017 in The Journal of chemical physics

Abstract

Using coarse-grained molecular dynamics simulations, we study ionomers in equilibrium and under uniaxial tensile deformation. The spacing of ions along the chain is varied, allowing us to consider how different ionic aggregate morphologies, from percolated to discrete aggregates, impact the mechanical properties. From the equilibrium simulations, we… (More)
DOI: 10.1063/1.4985904

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Cite this paper

@article{Sampath2017ImpactOI, title={Impact of ionic aggregate structure on ionomer mechanical properties from coarse-grained molecular dynamics simulations.}, author={Janani Sampath and Lisa M Hall}, journal={The Journal of chemical physics}, year={2017}, volume={147 13}, pages={134901} }