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Related Experiment Videos

Molecular Structuring and Percolation Transition in Hydrated Sulfonated Poly(ether ether ketone) Membranes.

Madhusmita Tripathy1, P B Sunil Kumar1, Abhijit P Deshpande2

  • 1Department of Physics, Indian Institute of Technology Madras , Chennai, Tamil Nadu, 600036, India.

The Journal of Physical Chemistry. B
|April 22, 2017
PubMed
Summary

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Hydration significantly impacts sulfonated poly(ether ether ketone) (sPEEK) membranes for fuel cells. A percolation transition between hydration levels of 8 and 10 creates connected water channels, enhancing proton conductivity.

Area of Science:

  • Materials Science
  • Electrochemistry
  • Polymer Science

Background:

  • Sulfonated membranes are critical components in fuel cells, directly influencing performance.
  • Understanding hydration effects on membrane morphology and transport is essential for optimizing fuel cell technology.

Purpose of the Study:

  • To investigate the impact of hydration levels on the morphology and transport properties of sulfonated poly(ether ether ketone) (sPEEK) membranes.
  • To elucidate the relationship between water clustering, phase separation, and ion transport in sPEEK.

Main Methods:

  • Atomistic molecular dynamics simulations were employed to study sPEEK membranes at various hydration levels (λ).
  • Structural correlations and minimum pair distances were used to analyze local morphology.

Related Experiment Videos

  • Mean squared displacements and diffusion coefficients were calculated to probe transport characteristics.

    • Main Results:

    • The water-sulfonate interaction in sPEEK was found to be stronger than in Nafion.
    • Distinct water morphologies were observed, ranging from narrow connected paths at low hydration (λ=4) to large domains at high hydration (λ=15).
    • A percolation transition, indicating the formation of a connected water network, was identified between λ=8 and 10, significantly increasing hydronium mobility.

    Conclusions:

    • The phase separation in sPEEK is less extensive than in Nafion, evidenced by the persistence of isolated water clusters.
    • The identified percolation transition is a key factor in enhancing proton conductivity in sPEEK membranes.
    • Molecular dynamics simulations provide valuable insights into the structure-property relationships governing sPEEK performance in fuel cells.