Analytical approach for the collective diffusion: Multicomponent mixture of particles coadsorbed on a multisite square lattice

0579479 - FZÚ 2024 RIV NL eng J - Journal Article
Tarasenko, Alexander
Analytical approach for the collective diffusion: Multicomponent mixture of particles coadsorbed on a multisite square lattice.
Surface Science. Roč. 729, Mar (2023), č. článku 122225. ISSN 0039-6028. E-ISSN 1879-2758
Institutional support: RVO:68378271
Keywords : lattice gas models * coadsorption * diffusion * Fick's law * hard-square lattice gas model
OECD category: Physical chemistry
Impact factor: 1.9, year: 2022
Method of publishing: Limited access
https://doi.org/10.1016/j.susc.2022.122225

Diffusion in a multicomponent mixture of particles coadsorbed on a multisite lattice is investigated by a theoretical approach. The investigated multiparticle system is a mixture of the m types of particles (atoms and/or molecules) adsorbed on a square lattice composed of the three types of different sites. The system of balance equations, which control on the atomistic level the migration of particles over the surface, is reduced to the system of diffusion equations describing the evolution of the hydrodynamic fluctuations of coverages. The diffusion equations are derived in the Onsager-like representation and in the Fickian representation. The approach gives also the analytical expressions for the transport coefficients and Fickian diffusivities.
Permanent Link: https://hdl.handle.net/11104/0348315