The kinetic Monte Carlo simulations of the self-diffusivity in zeolites
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F12%3A00381816" target="_blank" >RIV/68378271:_____/12:00381816 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.4028/www.scientific.net/DDF.326-328.99" target="_blank" >http://dx.doi.org/10.4028/www.scientific.net/DDF.326-328.99</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.4028/www.scientific.net/DDF.326-328.99" target="_blank" >10.4028/www.scientific.net/DDF.326-328.99</a>
Alternative languages
Result language
angličtina
Original language name
The kinetic Monte Carlo simulations of the self-diffusivity in zeolites
Original language description
The diffusion of guest molecules in zeolites is investigated in the framework of a onedimensional lattice-gas model with two non-equivalent sites. The concentration dependencies of the tracer and center-of-mass diffusion coefficients are calculated for some representative values of the lateral interaction between the guest molecules. Using simple ideas about molecules diffusion we propose analytical expressions for the diffusion coefficients. We compare the theoretical dependencies with the numerical data obtained by the kinetic Monte Carlo simulations. A very good coincidence of the data obtained by the two quite independent different methods corroborates strongly the validity of the proposed approach.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BM - Solid-state physics and magnetism
OECD FORD branch
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Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2012
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Defect and Diffusion Forum
ISSN
1012-0386
e-ISSN
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Volume of the periodical
326-328
Issue of the periodical within the volume
APR
Country of publishing house
CH - SWITZERLAND
Number of pages
6
Pages from-to
99-104
UT code for WoS article
000309370400017
EID of the result in the Scopus database
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