Mutual Diffusion in a Liquid Mixture of Argon and Krypton
Physics and Astronomy
Molecular dynamics simulations are performed for an equimolar mixture of argon and krypton. The concentration-fluctuation autocorrelation functions F-m, the collective and individual velocity autocorrelation functions Z(m) and Z(s), and the mean-square displacements are measured. The mutual diffusion coefficient determined from F-m is less than measured previously, but this is due to the approximation Q = 1 in the previous measurements for the thermodynamic factor Q which we find less than unity. We also note that Z(s) exhibits an interesting temperature-dependent late-time behavior which arises from the back scattering effect.
Physica A: Statistical Mechanics and its Applications
(1997). Mutual Diffusion in a Liquid Mixture of Argon and Krypton. Physica A: Statistical Mechanics and its Applications, 247(1-4), 140-152.
Available at: http://aquila.usm.edu/fac_pubs/5173