Fig. 3: MD simulations. | Nature Communications

Fig. 3: MD simulations.

From: Energy-autonomous KCl extraction from brine via biomimetic covalent-organic-framework membranes and redox-driven ion transport

Fig. 3

a, b Ion trajectories along the z-axis for (a) Cl⁻ and SO42–, and (b) K+ and Mg2+ ions passing through various membranes. c, d Simulation snapshots illustrating the transmembrane transport behavior of (c) Cl− and SO42– ions and (d) K+ and Mg2+ ions across COF-TFB-OMe. Color scheme: cyan, COF-TFB-OMe membrane; blue, Cl⁻; red and yellow, SO42–; purple, K+; bright yellow, Mg2+. e–g Mean square displacement (MSD) curves for the four ions in (e) COF-TFB, (f) COF-TFB-OMe, and (g) COF-TFB-OH membranes. Dashed lines represent self-diffusion coefficients, while solid lines correspond to transmembrane diffusion coefficients.

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