Mechanisms of Ammonia-synthesis Reaction Revisited with the Aid of a Novel Graph-theoretic Method for Determining Candidate Mechanisms in Deriving the Rate Law of a Catalytic Reaction

Abstract

Stoichiometrically exact, candidate pathways, i.e., mechanisms, for deriving the rate law of the catalytic synthesis of ammonia have been determined through the synthesis of networks of known elementary reactions constituting such pathways. This has been undertaken to reassess the validity of available mechanisms and to explore the possible existence of… (More)

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