Particle-resolved computational modeling of hydrogen-based direct reduction of iron ore pellets in a fixed bed. Part I: Methodology and validation

In the pursuit of more sustainable steelmaking, stakeholders are engaging in a transformative exploration of hydrogen-based direct reduction as an alternative to conventional blast furnaces. As a bridging step between single iron ore pellets and industrial shaft furnaces, direct reduction modeling in a fixed bed configuration can play a central role for subsequent process optimization. However, this task involves numerous challenging steps: generation of a realistic packed bed structure along with a good quality mesh and, foremost, reliable transport and kinetic processes for the individual pellets. Therefore, the present work formulates a sound methodology to progress from single particle considerations to 3D-CFD simulations of iron ore reduction using hydrogen in fixed beds, further supported by validations regarding the bed structure and the overall reduction against experimental data from the literature of a 500 g iron ore bed. The current results offer new insights into the direct reduction process, revealing, for instance, the non-uniform reduction of pellets within the bed, the presence of gas pockets, or the importance of the temperature deviation due to the endothermic reduction of iron oxides with hydrogen. • Simulation of hydrogen-based direct reduction fixed bed using particle-resolved CFD. • Three-step methodology: single pellet – bed construction with discrete element method – reactive CFD. • Comprehensive validation with experimental data, including a 500 g iron ore bed. • Detailed insights reveal non-uniform reduction and gas pocket formation. • High water presence and significance of temperature deviations highlighted.