Diffusion in a binary mixture of molecules adsorbed on a multisite two-dimensional lattice

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F22%3A00567845" target="_blank" >RIV/68378271:_____/22:00567845 - isvavai.cz</a>

Result on the web

<a href="https://doi.org/10.1016/j.seppur.2022.121984" target="_blank" >https://doi.org/10.1016/j.seppur.2022.121984</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.seppur.2022.121984" target="_blank" >10.1016/j.seppur.2022.121984</a>

Result language

angličtina

Original language name

Diffusion in a binary mixture of molecules adsorbed on a multisite two-dimensional lattice

Original language description

The diffusion in a binary mixture of species coadsorbed on a multisite square lattice is investigated by a theoretical approach (Chumak and Tarasenko, 1980) based on the non-equilibrium statistical operator method proposed by Zubarev (1961). The investigated lattice gas system is rather complex. There is a mixture of two types of particles (atoms, and/or molecules) adsorbed on a multisite lattice which consists of the three types of adsorption sites. This lattice can be subdivided onto three homogeneous square sublattices composed of the sites of the same type. As the binding energies for the molecules of distinct types adsorbed on the nonidentical sublattices are different, there are six average occupancies (coverages) describing the molecule distribution over the sublattices. A system of the balance equations, which controls the exchange of the molecules between the sublattices on the atomistic level is reduced to the diffusion equations describing the evolution of small hydrodynamic fluctuations of these coverages on the macroscopic level. The diffusion equations are written in the Onsager representation, when the driving forces are gradients of the chemical potentials and in the Fickian representation, when the driving forces are the gradients of coverages. The derivation of these equations results in the analytical expressions for the Fickian diffusivities and Onsager phenomenological coefficients. Despite the complex process of derivation, the final results are simple.

Czech name

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Czech description

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Type

J_imp - 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

—

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2022

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Separation and Purification Technology

ISSN

1383-5866

e-ISSN

1873-3794

Volume of the periodical

302

Issue of the periodical within the volume

Dec

Country of publishing house

GB - UNITED KINGDOM

Number of pages

10

Pages from-to

121984

UT code for WoS article

000875818300003

EID of the result in the Scopus database

2-s2.0-85138819708