Connection between macroscopic kinetic measurables and the degree of rate control. Issue 18 (31st August 2017)

• Record Type: Journal Article
• Authors: Jørgensen, Mikkel; Grönbeck, Henrik
• Is Part Of: Catalysis science & technology. Volume 7:Issue 18(2017)
• Page Start: 4034
• Page End: 4040
• Publication Date: 2017-08-31
• Subjects: Catalysis -- Periodicals; 541.395
• DOI: 10.1039/c7cy01246b
• Languages: English
• ISSNs: 2044-4753

Abstract

Abstract : Macroscopic kinetic measurables are linked to elementary reaction steps by the degree of rate control. 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 ( χ i ), which describes how the overall kinetics is influenced by the elementary reactions. The reaction orders are found to be χ i -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 χ i . The results couple macroscopic kinetics to the microscopic scale, which can facilitate analysis of catalytic reaction kinetics.