Fig. 3: Water and ion transport. | Nature

Fig. 3: Water and ion transport.

From: Selective ion transport through hydrated micropores in polymer membranes

Fig. 3

a, Macroscopic permeation and microscopic self-diffusion of water through membrane micropores. b, Analysis of QENS signal acquired with an energy resolution (Eres) of 32.8 µeV. Data points (open squares) were fitted globally, shown as red lines, with the instrument resolution function in green. Polymer relaxation resulted in a broad Lorentzian contribution (grey shaded area) and a fast contribution (solid black lines). Water dynamics produced the main Lorentzian contribution with a narrower line width (light blue shaded area). c, Nanometric water self-diffusion as determined by QENS. d, Temperature-dependent ionic conductivity measured in 1 M aqueous KCl with activation energy labelled. T represents temperature. e, Modelled n(r) of K+ ions with respect to water molecules. f, Hydration number of K+ ions in the first hydration shell. g, Linear coupling of cation and water self-diffusion. Open symbols represent molecular dynamics simulation data with a timescale of 20 ns for polymers hydrated with 1 M aqueous KCl, whereas solid symbols represent those measured for 1 M aqueous LiCl by 7Li and 1H PFG-NMR, with observation times of 120 ms for Li+ ions and 30 ms for water. h, Relative percentages of each structural segment within 1 Å of the pore surface, calculated by atom count. i, K+ ion trajectory in cPIM-Ph over 1.25 ns of molecular dynamics simulation at 300 K, with K+ ions colour-coded by elapsed time. For clarity, some polymers, water molecules and ions are omitted (see Supplementary Fig. 26 for the original snapshot). j, Modelled n(r) between K+ ions and oxygen-containing components in cPIM-Ph.

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