The influence of the transmission coefficient of the boundary on the diffusion in a solid surrounded by vacuum

A. Sobaszek , Leszek Adamowicz

Abstract

The calculations leading to the differential equations of statistical kinematics inside a solid and near the boundary between a solid and vacuum are given. The influence of the transmission coefficient of the boundary on the concentration of the diffusing material in solids is taken into account by introducing the length of extrapolation expressed by the polynomial of arbitrary order depending on the needed accuracy. The obtained length of extrapolation is influenced not only by the diffusion parameters and the boundary’s characteristic feature but also by the initial distribution of concentration and by the time of diffusion. The presence of an external force is neglected. The numerical calculation for the planar diffusion of hydrogen in a palladium monocrystal is given as an example. The present method may be particularly useful for diffusion in thin layers and membranes, or when the detailed information on the distribution of diffusing material near the boundary between a solid and vacuum is needed.
Author A. Sobaszek
A. Sobaszek,,
-
, Leszek Adamowicz (FP / SRD)
Leszek Adamowicz,,
- Structural Research Division
Journal seriesJournal of Mathematical Chemistry, ISSN 0259-9791, 1572-8897
Issue year1997
Vol21
No4
Pages413-434
Keywords in EnglishMath. Applications in Chemistry, Physical Chemistry, Theoretical and Computational Chemistry
DOIDOI:10.1023/A:1019143023927
URL http://link.springer.com/article/10.1023/A%3A1019143023927
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