[P01-42] poster sess.

Japanese

[P19] Particle size dependence of initial fischer-tropsch reaction processes on Co nanoparticle surfaces using ReaxFF

○Mao Matsuoka¹, Syougo Morisaki¹, Ryou Imai¹, Yusuke Kanematu¹, Takayoshi Ishimoto¹ (1. Graduate School of Advanced Science and Engineering)

Keywords:

Reaxff,fischer-tropsch,Cobalt

The particle size effect of cobalt (Co) catalysts significantly influences the reaction activity in Fischer-Tropsch (FT) synthesis. In this study, reactive force field molecular dynamics (ReaxFF) was employed to analyze the adsorption and diffusion behaviors of CO and hydrogen (H) on the surfaces of Co nanoparticles of different sizes. The results demonstrated that an increase in particle size leads to a higher frequency of encounters between CO and H on the surface, which consequently improves the reaction probability. These insights serve as valuable guidelines for designing highly efficient catalysts.