Three-Factor Kinetic Equation of Catalyst Deactivation

• Published in: Entropy (Basel, Switzerland) Vol. 23; no. 7; p. 818
• Main Authors: Gromotka, Zoë, Yablonsky, Gregory, Ostrovskii, Nickolay, Constales, Denis
• Format: Journal Article
• Language: English
• Published: Basel MDPI AG 27.06.2021; MDPI
• Subjects: Acetaldehyde; Aging; Anatase; catalyst deactivation; Catalysts; Deactivation; Dehydration; kinetic equation; Kinetic equations; Kinetics; Parameters; Phase transitions; Poisons; reversible deactivation and aging; Review; separability; Titanium dioxide
• ISSN: 1099-4300; 1099-4300
• DOI: 10.3390/e23070818

The three-factor kinetic equation of catalyst deactivation was obtained in terms of apparent kinetic parameters. The three factors correspond to the main cycle with a linear, detailed mechanism regarding the catalytic intermediates, a cycle of reversible deactivation, and a stage of irreversible deactivation (aging), respectively. The rate of the main cycle is obtained for the fresh catalyst under a quasi-steady-state assumption. The phenomena of reversible and irreversible deactivation are presented as special separate factors (hierarchical separation). In this case, the reversible deactivation factor is a function of the kinetic apparent parameters of the reversible deactivation and of those of the main cycle. The irreversible deactivation factor is a function of the apparent kinetic parameters of the main cycle, of the reversible deactivation, and of the irreversible deactivation. The conditions of such separability are found. The obtained equation is applied successfully to describe the literature data on the reversible catalyst deactivation processes in the dehydration of acetaldehyde over TiO2 anatase and in crotonaldehyde hydrogenation on supported metal catalysts.