Figure 14
From: A computational chemical study of penetration and displacement of water films near mineral surfaces
System size effects on phenol diffusion constants for phenol in an equilibrated phenol-water mixture in contact with α-quartz and calcite slabs. The legend described the system size in the y-direction. For y-coordinate and system definition for the 40 Å and 72 Å-cases see Fig. 3 and 13. The 40 Å-data are the same as those plotted in Fig. 11 (random start configuration, 298 K).