The slopes of the mole fraction dx k /dz and temperature profiles dT /dz as well as the average mole fraction of component k xk provide all required input data to calculate the Soret coefficient of component k using Equation . For each ∆T , ten simulations with independent initial configurations were performed in order to average the individual Soret coefficient data and obtain reliable uncertainty estimates via the sample standard deviation. A transition regime was observed, in which the temperature and mole fraction profiles were still influenced by the temperature-control regions (Figure ). Therefore, all data points that were closer than ≈ 0.05 • l z to the center of each thermostat layer were discarded. Thus, roughly 20 % of the profile data were discarded in order to maximize the likelihood to analyze linear profiles only.