Реферат: Metallic alloys are widely used as catalysts in chemical industry. The understanding of the kinetics of the corresponding elementary reaction steps is, however, still limited due to complex statistical aspects including the diversity of adsorption sites with the same structure but different composition of metal atoms. Herein, using the prescriptions of statistical physics, I derive general equations for describing isotherms of coadsorption on the three- and four-fold hollow sites of the binary-alloy surfaces and related rate processes including monomolecular adsorption and desorption, dissociative adsorption and associative desorption, and Langmuir–Hinshelwood and Eley-Rideal reactions. The rates of these steps are expressed via the probabilities of the formation of adsorption sites with participation of certain numbers of metal atoms of different types. The way how lateral adsorbate–adsorbate interactions can be taken into account is described as well. The general equations are applicable for arbitrary distributions of metal atoms and adsorbate–adsorbate interactions. In numerical calculations illustrating the specifics of coadsorption isotherms and rate processes, the correlations in this distribution are neglected and the adsorbate–adsorbate interactions are neglected as well. With the realistic values of the difference of the adsorbate interaction with metal atoms of different types, the distribution of coadsorbed species over sites is shown to be far from random. The dependence of the rates of various processes on adsorbate coverages is, however, often monotonic but can be nonmonotonic provided the distribution of adsorption sites over binding energy is wide and the interval of variation of coverage is appreciable. Overall, the formalism presented allows one to scrutinize various specific aspects of coadsorption on metal alloys. As explained in detail, it can be employed to clarify the kinetics of a series of practically important catalytic reactions with relatively simple mechanisms such as the ammonia synthesis.

Библиографическая ссылка: Zhdanov V.P.
Statistical Physics of Coadsorption Isotherms and Rate Processes on Bimetallic Alloys
Journal of Catalysis. 2026. V.453. 116496 :1-13. DOI: 10.1016/j.jcat.2025.116496 WOS Scopus OpenAlex Sciact

Даты:

Поступила в редакцию:	18 авг. 2025 г.
Принята к публикации:	15 окт. 2025 г.
Опубликована online:	1 нояб. 2025 г.
Опубликована в печати:	1 янв. 2026 г.

Идентификаторы БД:

Web of science:	WOS:001613768600001
Scopus:	2-s2.0-105020372255
OpenAlex:	W4415756671
Sciact:	52852

Альметрики: