Volume 63, Number 3, August 2003
|Page(s)||465 - 471|
|Section||Interdisciplinary physics and related areas of science and technology|
|Published online||01 November 2003|
Memory effects in correlated anisotropic diffusion
Leipzig University, Institute for Theoretical Physics Augustusplatz 9-11, D-04109 Leipzig, Germany
2 Leipzig University, Institute for Experimental Physics I Linnéstr. 5, D-04103 Leipzig, Germany
Accepted: 5 June 2003
Structure-related correlation of the principal values of the diffusion tensor is a unique feature of mass transfer in nanoporous crystalline solids. So far, analytical expressions of this correlation have been based on random-walk models with negligible memory effects. Considering crystals of type MFI for the first time the influence of memory effects on the correlated anisotropy of molecular diffusion is presented in a closed analytical expression. Comparison of the derived dependencies with the results of MD simulations yields satisfactory agreement.
PACS: 83.10.Mj – Molecular dynamics, Brownian dynamics / 31.15.Qg – Molecular dynamics and other numerical methods / 82.75.Jn – Measurements and modeling of molecule migration in zeolites
© EDP Sciences, 2003
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