Video n. 115

Molecular Dynamic of Hydrated NAFION(R)

Bruno D'Aguanno, Giovanni Murgia, Lorenzo Pisani, Maria Valentini

  • Date: 11/2003
  • Duration: 00:02:07
  • Production: CRS4 - D
  • Master: CD115
  • Encoding: DivX
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    Proton conducting membranes are of crucial importance in polymer electrolyte fuel cells design.Such membranes are usually made from ionomers which are polymers consisting of a hydrophobic organic backbone and hydrophilic side chains typically terminated by sulfonate groups. Nafion (DuPont) is the best performing ionomer for fuel cell membranes.

    The FCEM project focus on the investigation, by means of molecular dynamics (MD) simulations, of the micro structure and transport properties of Nafion117 under different degree of hydration and with or without external electric field. The video shows the molecular dynamics in the NVT ensemble of nine Nafion 117 infinitely long polymers with a degree of hydration of 23 water molecules for each sulfonate site at standard temperature and pressure conditions.

    See Also

    Details on the project are available on .