Electrolyte membranes

Satoru Yamamoto, Taku Ozawa

Research output: Chapter in Book/Report/Conference proceedingChapter


The mesoscale structure of a hydrated electrolyte membrane (Nafion) in polymer electrolyte fuel cells is studied using dissipative particle dynamics (DPD). A polymer is modeled by coarse-grained particles, and interaction parameters for particles are estimated from the cohesive energy for each chemical species according to an atomistic simulation. In the dissipative particle dynamics simulation, a spongelike structure of the hydrophobic phase of the Nafion backbone spontaneously emerges from the initial condition of random dispersion; this structure matches that observed experimentally. The cluster size and its dependence on the water content are also in good agreement with experimental results for small-angle X-ray scattering. In addition, by considering molecular rigidity and shear flow, the current model explains the anisotropy in the swelling behavior observed in hydrocarbon-based electrolyte membranes in which the main chain skeletons are rigid.

Original languageEnglish
Title of host publicationComputer Simulation of Polymeric Materials
Subtitle of host publicationApplications of the OCTA System
PublisherSpringer Singapore
Number of pages9
ISBN (Electronic)9789811008153
ISBN (Print)9789811008146
Publication statusPublished - Jan 1 2016
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • General Chemistry
  • General Engineering
  • General Materials Science


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