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Modeling Hydrogen Permeation through a Thin TiO2 Film Deposited on Pd

Z. Qin[1], Y. Zeng[1], and D.W. Shoesmith[1]

[1]The University of Western Ontario, London, Ontario, Canada

Models that describe hydrogen permeation through a thin TiO2 film deposited on Pd have been developed based on a mass-balance equation consisting of diffusion, reversible hydrogen absorption/desorption, and irreversible hydrogen trapping. These models are solved by the finite element method using COMSOL Multiphysics. By comparing model simulations with experimental permeation curves, values of the parameters associated with permeation, such as diffusion coefficients, absorption and desorption rate constants, trapping rate constants, and saturation concentrations can be evaluated.