Fig. 3: MD simulation of the SNFC–RIP process. | Nature Water

Fig. 3: MD simulation of the SNFC–RIP process.

From: Nanofiltration membranes with ultra-high negative charge density for enhanced anion sieving and removal of organic micropollutants

Fig. 3: MD simulation of the SNFC–RIP process.

a, Snapshots of models at the initial state and final state: the left chamber contains hexane, and the right chamber contains water, PIP molecules and with/without SNFC. b, The number density of n-hexane, H2O, SNFC and PIP along the z axis in the PIP model and PIP–SNFC model at the final state. c, Time dependence of the mean square displacement (MSD) curves of PIP molecules in the PIP model and PIP–SNFC model. d, Radial distribution function (g(r)) of O atoms in SNFC around PIP (N) and water (H) in the PIP–SNFC model at the initial state and final state. e, The variation in the number of PIP molecules compared with the initial value (N0).

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