Noura Dawass

3.4. R ESULTS AND DISCUSSION 3 55 (a) (b) Figure 3.5: The natural logarithm of (a) the linearity 1 − c 2 and (b) the differences between KBIs of finite simulation boxes and KBIs of a very large system, as a result of varying the linear range used to extrapolate to G ∞ 22 . The KBIs are computed from MD simulations of the binary WCA mixture (details in section 3.3.4) . The size of the simulation box is set to L box = 40. Points with differ- ent colors correspond to different starting points of the extrapolation range, x , and as a result a (Eq. (3.13) ). The variable y correspond to how far should the range be extended (Eq. (3.14) ).