Study of diffusion in a one-dimensional lattice-gas model of zeolites: The analytical approach and kinetic Monte Carlo simulations
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F12%3A00381299" target="_blank" >RIV/68378271:_____/12:00381299 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1007/978-3-642-30532-0_3" target="_blank" >http://dx.doi.org/10.1007/978-3-642-30532-0_3</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1007/978-3-642-30532-0_3" target="_blank" >10.1007/978-3-642-30532-0_3</a>
Alternative languages
Result language
angličtina
Original language name
Study of diffusion in a one-dimensional lattice-gas model of zeolites: The analytical approach and kinetic Monte Carlo simulations
Original language description
The diffusion of molecules adsorbed in a one-dimensional channel with side pockets is investigated in the framework of a one-dimensional lattice-gas model. The model can describe the molecules migration in some type of zeolites. We obtained the exact expression for the free energy of this model. Using the local equilibrium approximation we derived the analytical expressions for the diffusion coefficients. The concentration dependencies of the center-of-mass and Fickian diffusion coefficients are calculated for some representative values of the lateral interactions between molecules. The theoretical dependencies are compared with the numerical data obtained by the kinetic Monte Carlo simulations. The data obtained by the two completely different methodscoincide amazingly well in the whole concentration and wide interaction regions.
Czech name
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Czech description
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Classification
Type
C - Chapter in a specialist book
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
Book/collection name
Numerical Analysis of Heat and Mass Transfer in Porous Media
ISBN
978-3-642-30531-3
Number of pages of the result
21
Pages from-to
63-83
Number of pages of the book
316
Publisher name
Springer-Verlag
Place of publication
Berlin Heidelberg
UT code for WoS chapter
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