Understanding the hydrogen reduction of iron oxides at atomistic scale

Abstract

The current progress of hydrogen-rich ironmaking processes in China will be introduced firstly, indicating the essential importance of hydrogen reduction of iron oxides. While the apparent kinetics and microstructure evolution in hydrogen reduction process is well known for decades, the hydrogen reduction behavior in atomistic scale, determining the apparent kinetics, is not yet fully understood. Atomistic simulation techniques including ab-initio and ReaxFF molecular dynamics were adopted to investigate the hydrogen reduction mechanism on the surface of iron oxide. The evolution of atomic structure in the reduction process was fully visualized and analyzed.

Bio

Kejiang Li is a professor at the University of Science and Technology Beijing, China. He specializes in fundamental studies in both blast furnace ironmaking and alternative ironmaking processes including direct reduction and smelting reduction, focusing on the replacement of fossil fuel with renewables. He uses both experimental and computational tools to investigate high temperature processes in atomic and electronic scale. He has presided over more than 10 scientific research projects including Young Elite Scientists Sponsorship Program by the CAST. He has published 1 monograph and more than 60 SCI papers, and achieved 15 authorized patents.