*3.1. Visualization Characterization*

The visualization results of Model I are shown in Figure 5. The left panel shows that, after a 500 ps canonical system synthesis simulation, the nanoparticles gradually leaned towards the center through the attraction of their own branched chains and the repulsion of the branched chains by water. The right panel of Figure 5 shows that the nanoparticles are well-dispersed among themselves and show different characteristics from conventional surface-active multimolecular aggregation.

**Figure 5.** Schematic diagram of the initial model: (**a**) Dispersed morphology, (**b**) NGO distribution.

The visualization model of Model II is shown in Figure 6a: the simulation process of NGOs goes through two processes. The first process is the transport of water solution towards the oil–water interface. The second process is the spontaneous orientation of the lipophilic end towards the oil phase, and the spontaneous orientation of the hydrophilic end towards the water phase. The regular self-aggregation at the oil–water interface is shown in Figure 6b.

**Figure 6.** Self-aggregation equilibrium configuration of the system: (**a**) Self-aggregation process, (**b**) self-assembled membrane configuration.
