Figure 1

From: Sustaining dry surfaces under water

Figure 1
Figure 1

(A) Molecular dynamics model of a cylindrical pore surface with periodic boundary conditions. Water is placed on top of the textured surface. A rigid surface (piston) is used to apply pressure to the liquid water. (B) Liquid-vapor phase diagram for pore simulations. Stabilization and invasion pressures applied by the piston for an initially unfilled and initially half-filled pore were the same. The coexistence curve of the SPC/E water model obtained from the publicly available NIST Standard Reference Simulation Website57 is shown. Expected liquid invasion pressures were determined by equation (1) using a calculated liquid-solid contact angle of θe = 119.4°, with surface energies obtained from Sakamaki et al.58 Upper and lower estimates of the liquid invasion pressure were made using equation (1) with contact angle (θe ± Δθ), where Δθ = 9.07°. (C) Molecular dynamics simulations of a hydrophobic pore demonstrating non-wetting at 501 K and 68.59 bar applied pressure. The top row simulation begins with an unfilled pore; the bottom row simulation begins with a half-filled pore. The final state is the same for each case – dry.