The prediction of the thermodynamic factor by Kirkwood-Buff integration is also subject to system size effects, as can be seen in Figure . Because this formalism was originally derived for the grand canonical (µV T ) ensemble, it has to be extrapolated to the thermodynamic limit when the NV T ensemble is used. The correction method by Krüger et al. was successfully employed in previous work to determine extrapolated values when dealing with small systems. However, when sufficiently large systems are employed, this methodology can lead to an over-correction of the thermodynamic factor (Figure ).