Reactive interaction between CH4 and FeO at high temperature: A ReaxFF molecular dynamics simulation

Puntos clave

• Reactive interaction between CH4 and FeO occurs at high temperatures, impacting material properties.
• The molecular dynamics simulation demonstrates these interactions using the ReaxFF method with realistic conditions.
• Assessment of reactive behavior offers insights into understanding high-temperature reactions in materials science.
• Understanding these interactions is crucial for applications in catalysis and material engineering.