Sciact
  • EN
  • RU

Heterogeneous Catalytic Reactions with Double Occupation of Binding Sites Full article

Journal Catalysis Science and Technology
ISSN: 2044-4753 , E-ISSN: 2044-4761
Output data Year: 2024, Volume: 14, Number: 11, Pages: 3167-3175 Pages count : 13 DOI: 10.1039/d4cy00228h
Tags MONTE-CARLO-SIMULATION; LATTICE-GAS MODEL; KINETICS; NO
Authors Zhdanov Vladimir P. 1
Affiliations
1 Boreskov Institute of Catalysis, Russian Academy of Sciences, Novosibirsk, Russia

Funding (1)

1 Ministry of Science and Higher Education of the Russian Federation FWUR-2024-0032

Abstract: The rate processes occurring at catalytic surfaces are complicated by various factors, and the corresponding kinetic models are diverse. One of the common ingredients of these models is the assumption that binding sites are vacant or occupied by one adsorbed particle. Double occupation is, however, also possible although energetically not favourable. With this background, the author presents general equations describing coadsorption isotherms and kinetics of molecular adsorption, desorption, and Langmuir–Hinshelwood reaction in the situations when double occupation of binding sites is allowed for one of the adsorbates. The results of the corresponding calculations indicate that the conventional kinetic pathways including vacant sites or sites occupied by one adsorbed particle dominate up to high coverage, roughly at θ ≤ 0.9. With increasing pressure, one can, however, reach the high-coverage limit, θ ≥ 0.9, where the kinetic pathways including double occupation of sites can be dominating. This finding identifies and clarifies one of the likely reasons or complicating factors of the pressure-gap problem in heterogeneous catalysis.
Cite: Zhdanov V.P.
Heterogeneous Catalytic Reactions with Double Occupation of Binding Sites
Catalysis Science and Technology. 2024. V.14. N11. P.3167-3175. DOI: 10.1039/d4cy00228h WOS Scopus РИНЦ AN OpenAlex
Dates:
Submitted: Feb 19, 2024
Accepted: Apr 22, 2024
Published online: Apr 22, 2024
Published print: Jun 7, 2024
Identifiers:
Web of science: WOS:001210837100001
Scopus: 2-s2.0-85192082921
Elibrary: 68076506
Chemical Abstracts: 2024:946137
OpenAlex: W4395016605
Citing: Пока нет цитирований
Altmetrics: