Journal
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
Volume 40, Issue 45, Pages 15690-15703Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.ijhydene.2015.08.059
Keywords
Carboxylated monomer; Sulfonated poly(arylene ether sulfone) membrane; Proton conductivity; Molecular dynamics simulation
Categories
Ask authors/readers for more resources
The performance of poly(arylene ether sulfone) as a proton exchange membrane, for application in a fuel cell, such as carboxylic acid side chain effects on the structural and dynamical properties have been studied by molecular dynamics simulation at 353 K. Different percentage of carboxylated monomer were simulated and the radial distribution function, water cluster size and mean square displacement were evaluated. The results showed that monomer carboxylation up to 10%, decreased the conductivity according to vehicular mechanism and then at 15% of monomer carboxylation the conductivity increased. Also, the greatest water clusters were formed at 15% carboxylated monomer and the increase in acidic sites made the polymer more hydrophilic. In addition, the diffusion and solubility of the gases, O-2 and H-2, into the membrane were studied and the results indicated that H-2 has a higher diffusion coefficient than O-2 and the diffusion phenomenon has a determining effect on the performance of proton exchange membrane. Copyright (C) 2015, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available