SGER: Small Grant for Exploratory Research: Evaluation of Catalytic Reactions on Nonuniform Surfaces

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ABSTRACT - CTS 9705238 Linda J. Broadbelt Northwestern University A new approach to modeling heterogeneous catalytic reactions and predicting their rates is proposed. Transient techniques of characterization, such as temperature-programmed desorption and reaction (TPD, TPR), yield quantitive information on the energetic heterogeneity of real catalysts. The TPD profiles are reduced to sets of parameters identifying binding energies of chemisorbed species. Those are included in reaction mechanisms, and rates of reaction are thus predicted. This work's goal is to prove the outlined concept by utilizing TPD data from supported and single-crystal nickel catalyst, and verifying predictions against rate data for the methanation of carbon monoxide.