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. 2022 Nov 24;12(12):1183. doi: 10.3390/membranes12121183

Figure A1.

Figure A1

Force between a K+ ion and a water molecule as a function of distance. (a) The negative oxygen atom of the water molecule points towards the positive K+ ion. As long as the distance between the center of K+ and of the water molecule is larger than 0.248 nm (about 90% of the sum of the radius of K+ and the effective radius of H2O), the total coulomb force between the K+ and the three charges of the water molecule is attractive with a maximum magnitude of almost 10−9 N. Within the repulsion zone an extremely strong repulsive force sets in, however. This configuration occurs when the water molecule is part of a hydration shell of the K+ ion. When this configuration occurs within the selectivity filter, which is often the case when a water molecule from the inner cell cavity follows a K+ ion into the selectivity filter, the water molecule becomes attached to the K+ and moves with it through the selectivity filter. (b) One positive hydrogen atom of the water molecule points towards the positive K+ ion. Here the total Coulomb force between the K+ and the water molecule is always repulsive, but at a distance of 0.5 nm it has fallen off to only about 2 × 10−10 N. However, if the water molecule and the K+ approach closer than the repulsion zone and the electron shells begin to overlap, the very strong repulsion force sets in.