Abstract
A combined modeling approach using kinetic Monte Carlo and molecular dynamics simulations is applied to investigate both chemical and mechanical degradation of Nafion membranes on the molecular level. In different hydration conditions, two major degradation reactions are identified to be the main chain unzipping and the side chain scission. The dissolution process of Nafion is evaluated in terms of weight loss, production emission rate and evolution of functional groups. Further, the complicated structural deformation is preliminarily investigated by imposing linear strain on degraded Nafion membrane. Different craze patterns are compared before and after chemical degradation, and the mechanism of crack propagation is proposed. Finally, prospective applications of our modeling approach are addressed for future studies of membrane degradation phenomena under fuel cell operation conditions.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.