Simulation was used to investigate the self-diffusion coefficients of neet liquid and supercritical Xe over a wide range of thermodynamic conditions. The fluid was studied at densities of 0.0700 to 3.2141g/cm3 at 203 to 343K, and the simulations were based upon a pair-wise additive potential model. The self-diffusion coefficients which were obtained were shown to be in good agreement with experimental values reported by Prins and co-workers, covering PVT data up to 1500bar. Theoretical results for self-diffusion coefficients, arising from various theoretical and empirical models, were tested against experimental and molecular dynamics results. The structure of the fluid was presented in terms of pair distribution functions and a possible correlation of its local behaviour with diffusivity.

The Temperature and Density Dependence of Fluid Xenon Self-Diffusion Coefficients: a Comparison between Experimental, Theoretical and Molecular Dynamics Results. Marinakis, S., Samios, J.: Journal of Supercritical Fluids, 2005, 34[1], 81-9