Because of finite size-related issues, additional EMD simulations were performed with larger volumes for all studied mixtures. For this purpose, relatively large systems with 8000 molecules were employed and the cutoff radius was extended to half of the edge length of the simulation volume l/2. For mixture A2, the difference between the extrapolated and sampled mass transfer coefficient was within its statistical uncertainty (i.e., ≈ 2%). Further, the sampled thermodynamic factor differed by +2.5% from its extrapolated Figure : (a) Thermodynamic factor of the mixture B2 as a function of the inverse edge length of the simulation volume l -1 , including a linear fit (dashed line) and the resulting extrapolated value in the thermodynamic limit (ochre cross). (b) Thermodynamic factor sampled for systems with 1200 (solid circles) and 8000 (solid squares) molecules, respectively, and their corrected values (empty symbols) following Krüger et al. as functions of the calculated Soret coefficient. The ochre cross represents the linearly extrapolated thermodynamic factor of mixture B2, as obtained from (a).