Diffusion coefficients of Lennard-Jones gases.

Molecular dynamics simulations of diffusion coefficients are based on modeling assumptions, such as diffusive regime, linear response, or Onsager regression hypothesis. In this talk, we compare our analytic results, our molecular dynamics simulations based on Green-Kubo or on Stefan-Maxwell-Onsager assumptions, and available experimental results, for relative diffusion coefficients of ideal Lennard-Jones gases.