Journal
FUEL CELLS
Volume 8, Issue 3-4, Pages 244-253Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/fuce.200800003
Keywords
energy barrier; immobilised imidazole; molecular dynamics; proton conductivity; proton jump
Categories
Ask authors/readers for more resources
The proton conduction in immobilised imidazole systems has been investigated in order to support the design of new membrane materials for polymer electrolyte membrane fuel cells (PEMFC). In the experimental part of this work, proton conductivities are measured via impedance spectroscopy. The simulation and modelling are performed combining molecular dynamics simulations and energy barrier calculations; the analysis is done via the proton jump energy barrier, collision ratio and radial distribution function. The dependence of the proton mobility on the temperature, spacer length and the density of conducting groups per area is presented. Donors and acceptors groups approach to each other within a distance from 2.8 to 3 angstrom where the energy barrier for a proton transfer is very low, which favours the proton jump under the studied conditions. The proton conductivity increases with increase in the spacer length. The simulation results are in good agreement with the proton conductivities presented.
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