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Connection between macroscopic kinetic measurables and the degree of rate control†
Mikkel Jørgensen,Henrik Grönbeck
Catalysis Science & Technology Pub Date : 08/16/2017 00:00:00 , DOI:10.1039/C7CY01246B
Abstract

Catalytic reactions are commonly characterized by measuring reaction orders and apparent activation energies. In the present work, these macroscopic measurables are related to the degree of rate control (χi), which describes how the overall kinetics is influenced by the elementary reactions. The reaction orders are found to be χi-weighted sums over the microscopic rates, derived with respect to pressure. Similarly, the apparent activation energy is shown to be a sum over the individual reaction-energy-barriers, weighted by χi. The results couple macroscopic kinetics to the microscopic scale, which can facilitate analysis of catalytic reaction kinetics.

Graphical abstract: Connection between macroscopic kinetic measurables and the degree of rate control
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