Fig. 2 Configurations of PH and HH pore systems at 5nm pore width. Color definitions are same in Fig.1. Pore systems at 10 nm and 15 nm pore width are not presented but are used in this study.
Seven water concentrations (Cw) are constructed for each of the three slit pore widths (5, 10 and 15 nm). All the simulation models are shown in Table S-1 in Supporting Information. In the interests of space, we only show the initial configurations of the PH models with a pore width of 5nm in Fig. 3. The temperature and pressure are kept constant. In order to keep pressure conditions similar across all models, an increase in water concentration is accompanied by a decrease in the number of hydrocarbon molecules.