Figure 8.
Dissolution and translocation connected with pore-opening. Snapshots show the starting structure (a) and the last frames for simulations 15 (b), 16 (c), 17 (d) and 18 (e). Deprotonated PET residues are pictured as purple lines, , Ca2+, and K+ ions are colored in red, green, and blue, respectively. The location of the precipitate is highlighted with a black circle. For simulation 16 (c), the position of the pulling ion is highlighted with a black arrow. For simulations 17 (d) and 18 (e), the precipitate tore three PET chains from the pore, colored in cyan.