Transport kinetics of protium and deuterium in titanium: Experiments and modeling

Abstract

We conducted absorption experiments on Ti using hydrogen isotopes, protium and deuterium, to gain insights into the kinetics of hydrogen atoms, particularly across the Ti surface. Rather than relying on various surface pretreatments, we identified the initial temperature of Ti in vacuum as the determining factor in achieving a high absorption rate and content. Specifically, we found that the initial Ti temperatures of approximately 900 and 980 °C are optimal for protium and deuterium, respectively, likely due to sufficient removal of the native surface oxide on Ti. The dependence of the absorption rate and amount of hydrogen isotopes on the temperature during absorption was partially explained by the phase transformation and exothermicity of the hydrogenation reaction. Moreover, this dependence strongly indicated the existence of a tunneling transport process. Additionally, we developed a kinetic model for hydrogen isotope transport in Ti to conduct numerical simulations. The absorption curves, calculated using the developed model, closely matched a series of experimental curves obtained at different temperatures. These curves were from an identical set of equations and kinetic parameters for both protium and deuterium. Our numerical kinetic model has the potential to serve as a valuable simulation tool for various applications, such as the design of high-performance hydrogen storage systems and maintenance strategies against hydrogen embrittlement of structural materials.