Configuration of computer experiment.
Number density profiles of water oxygens (dashed lines) and terminal atoms of SAMs (solid lines) in (a) O-SAM/water/O-SAM system at h = 32 Å and (b) C-SAM/water/C-SAM system at h = 36 Å. (The terminal atom of the O-SAM was assumed to be the hydroxyl O of the carboxyl group. The density profile of the carbonyl O was very similar in shape and position.)
Snapshot of the O-SAM/water/O-SAM system at h = 42 Å. The S, carboxyl O, and water O atoms are shown as green, red, and turquoise circles, respectively, while C and H atoms are not shown for clarity.
Ensemble-average number of water molecules as a function of separation for water confined between (a) O-SAMs, (b) C-SAMs, and (c) O-SAM and C-SAM. The vertical arrows correspond to complete (b) and incomplete (c) capillary evaporation.
Pressure-distance relations for water confined between (a) O-SAMs, (b) C-SAMs, and (c) O-SAMs and C-SAMs.
Snapshot of the C-SAM/water/C-SAM system in the course of capillary evaporation at h = 34 Ǻ.
Snapshot of the O-SAM/water/C-SAM system after incomplete capillary evaporation at h = 35 Ǻ.
Structure of pressure at some selected separations for water confined between (a) O-SAMs, (b) C-SAMs, and (c) O-SAM and C-SAM (Å, kbar).
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