Detailed microkinetic modelling of syngas to hydrocarbons via Fischer Tropsch synthesis over cobalt catalyst

Abstract

Fuels production from syngas via Fischer Tropsch synthesis (FTs) is an alternative technology for clean energy production. The microkinetic model is a promising approach for gaining insight into FTs activity. In this study, a systematic microkinetic model was proposed to develop a process for cobalt-catalyzed FTs. All possible elementary reactions based on the carbide mechanism and characteristics of catalyst sites were considered in the kinetic model. The effects of the reaction rate constant, reaction pathways, and H2 to CO ratio were represented by a kinetic parameter, reaction path, and operating parameter, respectively. The model could accurately predict product distribution trends, with an R2 value and mean absolute relative residuals percentage of 0.91–0.93 and 5–43%, respectively, in comparison with experimental data. Hydrogen utilization was predicted and analyzed. High model accuracy was achieved, with a 10−10–10−3% error in the material balance.