Ion Rejection by Nanoporous Membranes in Pressure-Driven Molecular Dynamics Simulations
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We perform pressure-driven non-equilibrium molecular dynamics (MD) simulations to drive a 1.0 M NaCl electrolyte through a dipole-lined smooth nanopore of diameter 12 Å penetrating a model membrane. We show that partial, about 70-80%, Cl(-) rejection is achie... ...
