Statistical Mechanics Study of Methanation over Pd/A1₂O₃ Catalyst Ⅱ. Statistical Mechanics Calculation of the Inverse Isotope Effect of Methanation

The overall H/D isotope effect of methanation was analyzed. Both of the differences of H₂/D₂ adsorption and H_ad/D_ad reaction with CO_ad were calculated by statistical mechanics. It was found that the inverse isotope effect of the RDS dominates the isotope effect of the overall reaction. The calculated results also agreed well with the experimental results.