Towards detailed combustor wall kinetics: An experimental and kinetic modeling study of hydrogen oxidation on Inconel

Abstract

Gas-phase hydrogen combustion is ubiquitous in industrial processes, and the associated surface kinetics on heat-resistant alloys plays a crucial role in designing efficient low-carbon technologies. We conducted new temperature programmed reduction experiments to determine the reducibility of materials following an oxidation cycle. These experiments were modeled using a thermoconsistent multi-site microkinetic model for H₂ heterogeneous oxidation on Inconels, which was validated against literature experiments. This competitive adsorption model considers iron bulk content, hydrogen spillover and subsurface oxygen migration on hydrogen surface oxidation kinetics. New X-ray diffraction experiments confirmed the postulated crystallographic structures in the Inconel samples, suggesting their presence on the surface scale. The phenomenological model was coupled with several state-of-the-art gas-phase oxidation mechanisms to assess gas/surface reactions interaction as a function of material and temperature. The results reveal a complex interaction in which surface removes H radicals from the gas-phase, while the Bradford (H₂+OH) reaction converts OH into H₂O, promoting water adsorption on Inconel. This interaction was found to give rise to gas-phase thermokinetic oscillations. The model predicts a non-monotonous effect of reactor area-to-volume ratio on reactivity and emphasizes the impact of Inconel composition on product selectivity. Overall, the multi-site model provides new insight into the contrasting reactivities among active sites, bridging the gap between material science and heterogeneous combustion modeling.