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Details for article 12 of 21 found articles
| Title: |
Molecular dynamics simulation of the mutual and self diffusion coefficients in Lennard-Jones liquid mixtures |
| Author: |
Jolly, Donn L. Bearman, Richard J. |
| Appeared in: |
Molecular physics |
| Paging: | Volume 41 (1980) nr. 1 pages 137-147 |
| Year: |
1980-09 |
| Contents: |
A molecular dynamics calculation has been attempted for the mutual diffusion coefficient in a Lennard-Jones liquid mixture utilizing about 200 000 timesteps and incorporating the contribution for the thermodynamic factor. The precision of the result is about 8 per cent, excluding errors arising from the N dependence of the coefficient. For the same mixture, a number of calculations have been made for the self diffusion coefficients D1 and D2 varying the total number of particles. A significant apparent N dependence is noted for D1 and D2 individually but the ration D1/D2 is constant. |
| Publisher: |
Taylor & Francis |
| Source file: |
Elektronische Wetenschappelijke Tijdschriften |
Details for article 12 of 21 found articles
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