Properties of Nafion Under Uniaxial Loading at Different Temperatures: A Molecular Dynamics Study

Ozmaian, M ; Sharif University of Technology | 2015

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  1. Type of Document: Article
  2. DOI: 10.1080/03602559.2014.974192
  3. Publisher: Taylor and Francis Inc , 2015
  4. Abstract:
  5. Nafion membrane encounters many different thermal conditions and mechanical loadings because of its wide range of applications as a proton exchange membrane (PEM). Molecular dynamics simulation of hydrated Nafion at different temperatures is carried out to investigate the alteration of the physical properties of Nafion under uniaxial loading over a wide range of temperatures. According to the simulation results, increase of the temperature reduces the yield stress. The results also show that the polymer chains ordering increases the glass transition temperature and enhances the self-diffusion coefficient of water in hydrated Nafion. Comparisons show that the elastic modulus and viscosity coefficient obtained from the simulations at different temperatures are qualitatively in agreement with the measured values from experiments
  6. Keywords:
  7. Molecular dynamic (MD) simulation ; Nafion ; Proton exchange membrane (PEM) ; Uniaxial loading ; Diffusion ; Diffusion in liquids ; Glass transition ; Hydration ; Proton exchange membrane fuel cells (PEMFC) ; Yield stress ; Mechanical loading ; Self-diffusion coefficients ; Thermal condition ; Viscosity coefficient ; Molecular dynamics
  8. Source: Polymer - Plastics Technology and Engineering ; Volume 54, Issue 8 , 2015 , Pages 806-813 ; 03602559 (ISSN)
  9. URL: http://www.tandfonline.com/doi/full/10.1080/03602559.2014.974192