Abstract
A method is developed to estimate the potential energy diagram for a full catalytic reactionfor a range of late transition metals on the basis of a calculation (or an experimentaldetermination) for a single metal. The method, which employs scaling relations betweenadsorption energies, is illustrated by calculating the potential energy diagram for themethanation reaction and ammonia synthesis for 11 different metals on the basis of resultscalculated for Ru. It is also shown that considering the free energy diagram for thereactions, under typical industrial conditions, provides additional insight into reactivitytrends.
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