Complex Molecules at Liquid Interfaces: Insights from Molecular Simulation

Figure 5

(a) Simulation snapshots showing uniform dendrimer at liquid-liquid interface with nanoparticle-interface separations 0 (left), (middle), and (right). (b) Free energy profile for uniform dendrimers at liquid-liquid interface. Solid line (black) denotes dendrimer in poor solvent, dotted line (red) denotes dendrimer in good solvent, dashed line (green) denotes nanoparticle in poor solvent, and dot-dashed line (blue) denotes nanoparticle in good solvent. (c) Free energy profiles for uniform dendrimer (solid line, black) and core-shell dendrimer (dashed line, red). (d) Free energy profiles for uniform dendrimer (solid line, black), Janus dendrimer with alternating end groups (dotted line, red), Janus dendrimer with segregated end groups (dashed line, green), and Janus dendrimer with randomly distributed end groups (dot-dashed line, blue). Adapted from [27] with permission from The Royal Society of Chemistry.

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