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

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F19%3A00507191" target="_blank" >RIV/68378271:_____/19:00507191 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1016/j.seppur.2019.05.003" target="_blank" >https://doi.org/10.1016/j.seppur.2019.05.003</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.seppur.2019.05.003" target="_blank" >10.1016/j.seppur.2019.05.003</a>

Result language
angličtina
Original language name
The theory of diffusion in a binary mixture of molecules coadsorbed on a two-dimensional lattice
Original language description
The diffusion in the binary mixture of molecules coadsorbed on a square lattice is investigated by a theoretical approach and the Monte Carlo simulations. Using a lattice gas model I have derived a system of equations describing the diffusion of the molecules in the Fickian and Onsager representations. Also, I have obtained the analytical expressions for the Fickian diffusion coefficients. 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 coincide with the corresponding classical counterparts, but the Onsager-like equations differ significantly from their standard lore – the cross terms are absent.
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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