Kinetic Insights into Methanol Synthesis from CO Hydrogenation at Atmospheric Pressure over Intermetallic PdGa Catalyst.

This study presents a single-site microkinetic model for methanol synthesis by CO hydrogenation over intermetallic PdGa/SiO. A reaction path analysis (RPA) combining theoretical results and realistic catalyst surface reaction data is established to elucidate the reaction mechanism and kinetic models of CO hydrogenation to methanol and CO. The RPA leads to the derivation of rate expressions for both reactions without presumptions about the most abundant reactive intermediate (MARI) and rate-determining step (rds).