Analytical approach for collective diffusion: one-dimensional heterogeneous lattice

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F16%3A00468714" target="_blank" >RIV/68378271:_____/16:00468714 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1063/1.4945607" target="_blank" >http://dx.doi.org/10.1063/1.4945607</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1063/1.4945607" target="_blank" >10.1063/1.4945607</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Analytical approach for collective diffusion: one-dimensional heterogeneous lattice

Popis výsledku v původním jazyce

Diffusion of particles adsorbed on the heterogeneous chain was investigated using a theoretical approach and Monte Carlo method. I present the derivation of the analytical expressions for the diffusion coefficients. This approach is based on the theory of the non-equilibrium statistical operator developed by Zubarev. The concentration dependencies of the center-of-mass and Fickian diffusion coefficients have been calculated for some representative values of lateral interactions between the adsorbed particles. The analytical dependencies are compared with the numerical data generated by the kinetic Monte Carlo simulation. The almost perfect coincidence of the data obtained by the two quite different methods clearly demonstrates the applicability of the approach for the investigations of the particle migration in the lattice gas systems.

Název v anglickém jazyce

Analytical approach for collective diffusion: one-dimensional heterogeneous lattice

Popis výsledku anglicky

Diffusion of particles adsorbed on the heterogeneous chain was investigated using a theoretical approach and Monte Carlo method. I present the derivation of the analytical expressions for the diffusion coefficients. This approach is based on the theory of the non-equilibrium statistical operator developed by Zubarev. The concentration dependencies of the center-of-mass and Fickian diffusion coefficients have been calculated for some representative values of lateral interactions between the adsorbed particles. The analytical dependencies are compared with the numerical data generated by the kinetic Monte Carlo simulation. The almost perfect coincidence of the data obtained by the two quite different methods clearly demonstrates the applicability of the approach for the investigations of the particle migration in the lattice gas systems.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

BE - Teoretická fyzika

OECD FORD obor

—

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2016

Kód důvěrnosti údajů

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

Název periodika

Journal of Chemical Physics

ISSN

0021-9606

e-ISSN

—

Svazek periodika

144

Číslo periodika v rámci svazku

14

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

11

Strana od-do

—

Kód UT WoS článku

000374774000007

EID výsledku v databázi Scopus

2-s2.0-84966318408