Figure 5

Interfacial properties of the water/octane (left) and water/phospholipid (right) interfaces as a function of applied external field. Shown are (A) the force on a hypothetical dipole with a strength of 1 D, pointing in the direction of the Z-axis, (B) the average orientation of water molecules along the Z-axis expressed as the magnitude of the dipole moment in Debye along the Z-axis, (C) the average force in the z-direction, calculated from the product of the average orientation and the field gradient, and (D) the density profile for the total density and the water or phospholipid components along the Z-axis. In the octane simulations, data shown have been averaged over the trajectory from 5 to 50 ns, with no pore formation occurring. In the phospholipid simulation data has been averaged over 0–20 ns for 0 M/0 V (which was already equilibrated under these conditions), 10–20 ns for 0 M/0.083 V, and 20–50 ns for 0 M/0.33 V.