Kinetics of hydrogen dissolution by titanium, A-digital simulation

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Abstract
The process of hydridization of titanium is described and quantitatively simulated. The process consists of the dissociative adsorption of hydrogen on titanium, its transfer across the surface to form dissolved H atoms and the diffusion of the later inside the Ti bulk. The interrelation between these stages results in a mixed kinetic control in which the dissociative adsorption of hydrogen depends on the available adsorption sites which in turn are released due to the diffusion of hydrogen from the surface region. The adsorption of hydrogen is characterized by a ’’Temkin’’ type isotherm which is constructed here for the first time while the description of the transport of hydrogen in titanium takes into account the possible existence of the three solid phases of the Ti/H system with different solubility and diffusion coefficient of hydrogen. The model predicts the hydrogen dissolution with time, the rate of the hydride decomposition, and the effect of surface inhibition. By comparison with experimental results, the sticking coefficient of hydrogen on a bare titanium surface can be estimated.

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