Figure 3
Snapshots of the simulation boxes after initial production runs with fixed silicon slabs in different reservoir fluids. In the fluids the ion colors are: Na+ = transparent blue; Cl− = transparent orange; Ca2+ = green. Other atom colors are the same as in Fig. 1. Water molecules are removed for clarity. The alkanethiols in all three fluids start with similar order. The end carboxyl groups in seawater (SW) are surrounded by sodium ions, while those in brine (B) and calcium-doped seawater (CaSW) strongly chelate the calcium ions.
