Speedy, R. J. and Prielmeier, F. X. and Vardag, T. and Lang, Elmar and Lüdemann, Hans-Dietrich
Diffusion in simple fluids.
Molecular physics: MP 66 (3), pp. 577-590.
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Computed self diffusion coefficients for the Lennard-Jones and hard sphere fluids are related by
Dej = DNs(aB) exp (--e/2kB T)
where σB=σLJ(2/[1+ii(1+2kBT/ε)])1/6, the effective hard sphere diameter, is the (average) distance of closest approach in collisions between molecules which interact with the positive part of the LJ potential, and the Arrhenius term reflects the influence of the ...
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