Papers by Author: Alexander Tarasenko

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Authors: Alexander Tarasenko, Lubomir Jastrabik, F. Nieto, C. Uebing
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Authors: Alexander Tarasenko, Lubomir Jastrabik
Abstract: We have considered the diffusion of particles in a dynamically disordered medium in the framework of a simple lattice-gas model of a reconstructive surface. Using kinetic Monte Carlo simulations we have investigated the diffusion of particles over the host lattice with moving atoms. The dynamic lattice reconstruction increases substantially the particle diffusion coefficient and changes its activation energy.
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Authors: Alexander Tarasenko
Abstract: The diffusion of particles adsorbed on a patchwise surface with two non-equivalentsites is investigated in the framework of the lattice-gas model. The coverage dependencies of thecenter-of-mass and Fickian diffusion coefficients are calculated for some representative valuesof the lateral interaction. We propose the analytical expressions for the diffusion coefficients.We compare the theoretical dependencies with the numerical data obtained by the kineticMonte Carlo simulations. The good coincidence of the data obtained by the two quite differentmethods corroborates strongly the approach developed to describe the particle migration onsuch complex, heterogeneous lattices.
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Authors: J. Tervo, Alexander Tarasenko, Hannu Hänninen
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Authors: Yu. Jagodzinski, S. Smouk, Alexander Tarasenko, Hannu Hänninen
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Authors: Alexander Tarasenko, Lubomir Jastrabik
Abstract: The diffusion of guest molecules in zeolites is investigated in the framework of a onedimensionallattice-gas model with two non-equivalent sites. The concentration dependenciesof the tracer and center-of-mass diffusion coefficients are calculated for some representative valuesof the lateral interaction between the guest molecules. Using simple ideas about moleculesdiffusion we propose analytical expressions for the diffusion coefficients. We compare the theoreticaldependencies 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 methodscorroborates strongly the validity of the proposed approach.
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