The name is absent



The variable surface charge density was included in the simulation as follows. With the
tip at
Do, we ran the simulation using the surface charge density obtained from applying
the method described in Chapter 2, this is the Imperturbed surface charge density
σo. We
then set the tip at
Di, (Di = Dq- 0.5 nm) and set the surface charge density to σj. Here, σ/
was calculated as a function of the lipid surface potential underneath the tip
ψo, when the
tip was at
Do- We ran the simulation with Di, σj and then repeated the same procedure for
D2, D3 ,...,Dn , Dn+ι as shown in the schematic in Figure 3.6, with Dn+ι = Dn- 0.5 nm

AFM TIP



σn Ψn



AFM TIP

Яш

&n+l Ψ n+1


LIPID BILAYER


LlPlD BILAYER

σn+l = g(ψn )

Figure 3.6: Schematic of how the tip-induced charge regulation finite element model is
implemented. Here,
ψ is the surface potential, σ is the surface charge density of the lipid
bilayer and
F is the electrostatic force on the tip. The functional form of g will depend on
the form of charge regulation being considered (e.g. charge regulation due to counterion
binding).

33



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