In addition to aiding in the reduction of global warming, the hydrogenation of greenhouse gas CO2 into methanol will also offer a clean source of alternative energy. In this work, the single-site mechanism-based microkinetic model for the synthesis of methanol from CO2/H2 on a supported intermetallic Pd2Ga catalyst is presented. Without assuming the most abundant reactive intermediate (MARI) or rate-determining steps, the reaction route (RR) analysis was applied to develop a rate expression (rds). The incipient wetness impregnation technique was used to prepare the silica-supported Pd2Ga catalyst, and it was characterized by various techniques. The developed kinetic model was tested, and its parameters were estimated using the experimental data collected from the lab-made catalyst. According to the results, the hydrogenation of the carboxyl intermediate is the rds, and the surface-adsorbed CO2 and H-atom were the system's MARI. The final kinetic expression based on rds and MARI was evaluated against experimental results for a wide range of temperatures. The kinetic parameters and reaction mechanism presented in this study were proven to be valid when compared to the calculated data from the kinetic expression. The accuracy of the kinetic parameters presented in this study and the resilience of the rate expression is further demonstrated by the kinetic parameters' ability to accurately predict the theoretical CO2 conversion at high temperatures based on a plug flow reactor model.

Selective conversion of CO2 to methanol over intermetallic Pd2Ga catalyst: Microkinetic modeling

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