Abstract
This work investigates AEMs prepared from Poly (2, 6-dimethyl-1, 4-Phenylene Oxide) (PPO) quaternized with 1,2,3-triazolium and 1,2,4-triazolium, using molecular dynamics (MD) simulations to compare and evaluate their hydroxide transport and their stability against hydroxide degradation at different hydration levels. Hydroxide diffusivity (DOH) at λ = 6 is 0.69 × 10−10 m2/s, and 0.23 × 10−10 m2/s, at λ = 9 is 0.97 × 10−10 m2/s, and 0.67 × 10−10 m2/s and at λ = 12 is 1.85 × 10−10 m2/s, and 1.69 × 10−10 m2/s for 1,2,3-triPPO and 1,2,4-triPPO, respectively. At lower hydration levels (λ = 6 and λ = 9), 1,2,4-triPPO is stable against hydroxide degradation. However, at higher hydration levels, 1,2,3-triPPO has fewer hydroxide ions around the cationic group due to the hydroxide ions being solvated by the water, making it harder for the hydroxide ions to approach the cationic group at higher hydration levels, which means 1,2,3-triPPO is stable against hydroxide degradation.
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.