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Snapshot of the MD setup for osmosis. The middle chamber is (high solute concentration chamber) and the two outer chambers are (low solute concentration chambers).
Variation of the water occupancy in the two chambers during osmosis for NaCl and KCl electrolytes.
Variation in the PMF of ions in the (a) KCl and (b) NaCl solutions along the centerline of chamber. The -nanopore interface is at an axial distance of .
Comparison of the ion-water mean force when the chambers contain either KCl or NaCl solutions.
Hydration No. at the pore- interface region for different salt solutions in the chamber during osmosis. Also listed are the LJ carbon-ion parameters and the ion with a higher affinity to the pore.
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