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. 2021 Dec 22;18(1):448–460. doi: 10.1021/acs.jctc.1c00800

Figure 3.

Figure 3

Properties of EDL with rigid rod-like lipid head groups in contact with counterions only. (a) Electrostatic potential profiles Ψ, (b) concentration profiles of counterions n, and (c) probability densities of the middle charge q1 for the rigid rod-like head groups W. The lengths of the head groups are l1 = l2 = 0.5 nm (red lines) and l1 = l2 = 1 nm (green lines). Results are given for two surface areas per lipid molecule (the two charge densities of the interface): a = 0.6 nm2 (full lines, high charge regime) and a = 6 nm2 (dashed lines, low charge regime). Only counterions are in the solution, and β = 0.5. MC simulations: a = 6 nm2 (open squares) and a = 0.6 nm2 (open circles). The system is electroneutral.