Polyelectrolyte brushes on charged electrodes: animations of electrode-charge sweeps and interactive trajectory viewer

Supplementary media for the article Polyelectrolyte Brushes on Charged Electrodes: Coarse-Grained Molecular Dynamics with Grand Canonical Ion Exchange (O. Rud, O. V. Borisov).

sweep_c0.1_186d523a_flash_cycles4k.mp4, sweep_c0.01_7f30e8dd_flash_cycles4k.mp4 (2160 x 3840, 24 fps, 2 min, rendered with Blender Cycles): coarse-grained MD/GCMC simulations of a polyelectrolyte brush (N = 50, alpha = 0.5, Gamma = 0.10 nm^-2) while the electrode surface charge density is swept from +2.5 to -5 e/nm^2, at reservoir salt concentrations c_s = 0.1 and 0.01 mol/L. Purple: charged monomers; grey: uncharged monomers; red: Na+; green: Cl-. For faster rendering these simulations use a smaller electrolyte box (10 x 10 x 20 nm) than the systematic sweeps of the article (30 x 30 x 30 nm); the on-screen voltage is qualitative.

br_51b9e730_trajectory.html: self-contained interactive 3D trajectory viewer (open in a web browser) of the equilibrated brush shown in Figure 1a of the article (Gamma = 0.02 nm^-2, sigma = 1.0 e/nm^2, c_s = 0.01 mol/L).