Crossover from normal diffusion to single-file diffusion of particles in a one-dimensional channel: LJ particles in zeolite zsm-22 |
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Authors: | AV Anil Kumar |
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Institution: | 1. School of Physical Sciences, National Institute of Science Education and Research, IOP Campus, Bhubaneswar, Indiaanil@niser.ac.in |
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Abstract: | The crossover from normal Fickian diffusion, where mean-squared displacement goes as t to single-file diffusion, where <z2> t?0.5 is studied as function of particle size confined in zeolite zsm-22 using molecular dynamics simulations. The simulation results indicate that the crossover is smooth as the particle size increases and the diffusion reaches single file through a series of subdiffusion processes. A small number of mutual passage of particles can destroy the correlated single-file diffusion. The density dependence on single-file mobility obtained from molecular dynamics simulations are in very good agreement with theoretical predictions. |
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Keywords: | single-file diffusion Fickian diffusion Lennard Jones zeolite |
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