Kinetic Insights into Methanol Synthesis from CO₂ Hydrogenation at Atmospheric Pressure over Intermetallic Pd₂Ga Catalyst.

ABSTRACT: This study presents a single-site microkinetic model for methanol synthesis by CO₂ hydrogenation over intermetallic Pd₂Ga/SiO₂. 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 CO₂ 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). The formation of H₂COOH* is found to be the rds (step 19) for methanol synthesis via the formate pathway, with CO₂ and H-atoms adsorbed on intermetallic sites as the MARIs. The derived kinetic model is corrobora

SUBMITTER: Ahmad K 

PROVIDER: S-EPMC11469785 | biostudies-literature | 2024 Oct

REPOSITORIES: biostudies-literature