The Enskog theory for self-diffusion coefficients of simple fluids with continuous potentials
We develop the Enskog theory for the self-diffusion coefficient for fluids with continuous potentials. General expressions for the memory kernel and the self-diffusion coefficient are derived starting from the Green-Kubo formula. The time-dependent memory kernel is calculated and compared with m...
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| Date: | 2001 |
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| Main Authors: | , , |
| Format: | Article |
| Language: | English |
| Published: |
Інститут фізики конденсованих систем НАН України
2001
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| Series: | Condensed Matter Physics |
| Online Access: | http://dspace.nbuv.gov.ua/handle/123456789/120438 |
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| Journal Title: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Cite this: | The Enskog theory for self-diffusion coefficients of simple fluids with continuous potentials / K. Miyazaki, G. Srinivas, B. Bagchi // Condensed Matter Physics. — 2001. — Т. 4, № 2(26). — С. 315-323. — Бібліогр.: 10 назв. — англ. |
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Digital Library of Periodicals of National Academy of Sciences of Ukraine| Summary: | We develop the Enskog theory for the self-diffusion coefficient for fluids
with continuous potentials. General expressions for the memory kernel
and the self-diffusion coefficient are derived starting from the Green-Kubo
formula. The time-dependent memory kernel is calculated and compared
with molecular dynamics simulations for the Lennard-Jones fluid. Excellent
agreement is obtained at low density. The self-diffusion coefficient is
evaluated for several temperatures and densities. The ratio of the Enskog
self-diffusion coefficient to the simulation value is plotted against density for
the Lennard-Jones fluid. Significant difference of this density dependence
from that for the hard-sphere fluid is observed. In particular, the well-known
maximum observed in the hard-sphere fluid is found to be completely absent
in the Lennard-Jones fluid. |
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