Complex Molecules at Liquid Interfaces: Insights from Molecular Simulation

Figure 2

(a) (Top) Free energy profile for hard sphere nanoparticle at Widom-Rowlinson interface. Data from nanoparticle radius , , , and denoted by black, red, green, and blue lines, respectively (solid denotes simulation data and dotted line Pieranski approximation). (Bottom) Simulation desorption free energy (black line) and the ratio of the desorption free energies from simulation and Pieranski theory (red). (b) Simulation snapshots showing interface in absence of nanoparticle (top), nanoparticle with (middle), and nanoparticle with . Figure adapted from [24] © American Physical Society.

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