Complex Molecules at Liquid Interfaces: Insights from Molecular Simulation

Figure 4

(a) Free energy profiles for Janus nanoparticles at liquid-liquid interface. Data for , 0.06, 0.10, 0.14, 0.17, and 0.21 denoted by black, red, green, blue, magenta, and turquoise lines, respectively. (b) Joint position-orientation probability distributions for Janus nanoparticles with (top), (middle), and (bottom). (c) Desorption free energy for Janus nanoparticles from simulation (black, circles) and Binks-Fletcher (red, squares). For the simulation data, open symbols denote particles that are free to rotate and filled symbols particles of fixed orientation. Adapted from [26] with permission from The Royal Society of Chemistry.

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