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Connection between macroscopic kinetic measurables and the degree of rate control

Mikkel Jørgensen (Institutionen för fysik, Kemisk fysik (Chalmers) ; Kompetenscentrum katalys (KCK)) ; Henrik Grönbeck (Institutionen för fysik, Kemisk fysik (Chalmers) ; Kompetenscentrum katalys (KCK))
Catalysis Science & Technology (2044-4761). Vol. 7 (2017), 18, p. 4034-4040.
[Artikel, refereegranskad vetenskaplig]

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.

Nyckelord: Degree of rate control, kinetic modeling, reaction orders, apparent activation energies

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Denna post skapades 2017-09-19. Senast ändrad 2017-11-14.
CPL Pubid: 251969


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