From molecular dynamics simulation results for diffusion in binary hard-sphere mixtures with solute (component 2) mole fractions 0.12, 0.2, 0.3 and 0.5, the limiting (x2 = 0) tracer diffusion coefficient ratios D20/DE(12), where DE(12) was the Enskog mutual diffusion coefficient, were evaluated for solvent/solute mass ratios from 0.6 to 1.0, and solvent/solute diameter ratios from 1.0 to 2.0. Isotope effects for tracer diffusion, calculated from these data, were compared with experimentally determined isotope effects.

Tracer Diffusion in Hard-Sphere Liquids from Molecular Dynamics Simulations. Easteal, A.J., Woolf, L.A.: Chemical Physics Letters, 1990, 167[4], 329-33