Dense fluid self-diffusion coefficient calculations using perturbation theory and molecular dynamics
A procedure to correlate self-diffusion coefficients in dense fluids by using the perturbation theory (WCA) coupled with the smooth-hard-sphere theory is presented and tested against molecular simulations and experimental data. This simple algebraic expression correlates well the self-diffusion coef...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Brazilian Society of Chemical Engineering
1999-01-01
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| Series: | Brazilian Journal of Chemical Engineering |
| Subjects: | |
| Online Access: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0104-66321999000300010 |