The general theory of diffusion in a mixture of molecules coadsorbed on a homogeneous two-dimensional lattice

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F19%3A00511702" target="_blank" >RIV/68378271:_____/19:00511702 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1016/j.ces.2019.05.031" target="_blank" >https://doi.org/10.1016/j.ces.2019.05.031</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.ces.2019.05.031" target="_blank" >10.1016/j.ces.2019.05.031</a>

Result language
angličtina
Original language name
The general theory of diffusion in a mixture of molecules coadsorbed on a homogeneous two-dimensional lattice
Original language description
The diffusion in the multicomponent mixture of molecules coadsorbed on a surface with a square symmetry of the adsorption sites is investigated in the framework of a lattice gas model by a theoretical approach and the Monte Carlo simulations. Using the approach based on the theory of the non-equilibrium statistical operator I have derived the systems of equations describing the diffusion of the molecules in the Fickian and Onsager forms and obtained the analytical expressions for the Fickian diffusivities. These expressions are derived taking into account the lateral interactions between the molecules and the interactions of the activated molecules in the saddle points of the lattice potential relief with their surroundings. The diffusion equations in the Fickian representation exactly coincide with the corresponding classical counterparts, but the Onsager-like transport equations differ from their standard lore.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry

Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2019
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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