Exploring Crystal Structure Features in Proton Exchange Membranes and Their Correlation with Proton and Heat Transport.

ABSTRACT: Proton exchange membranes (PEMs) are dominated by semicrystalline structures because highly pure crystals are still challenging to produce and control. Currently, the development and application of PEMs have been hindered by a lack of understanding regarding the effects of microstructure on proton and heat transport properties. Based on an experimentally characterized perfluoro sulfonic acid membrane, the corresponding semicrystalline model and the crystal model contained therein were constructed. The water distribution, proton, and heat transport in the crystal, amorphous, and semicrystalline regions were examined using molecular dynamics simulations and energy-conserving dissipative particle dynamics simulations. The crystal structure had pronounced water connection pathways, a proton tr

SUBMITTER: Feng C 

PROVIDER: S-EPMC11644780 | biostudies-literature | 2024 Nov

REPOSITORIES: biostudies-literature