Molecular understanding of osmosis in semipermeable membranes.

摘要: We investigate single-file osmosis of water through a semipermeable membrane with an uncharged, positively and negatively charged nanopore. Molecular dynamics simulations indicate that the osmotic flux pore (J_) is higher compared to in (J+) followed by uncharged (J(0)), i.e., J_ > J+ J(0). The molecular mechanisms governing osmosis, steady state observed dependence on nanopore charge are explained computing all interactions involved identifying play important role during after osmosis. This study helps fundamental understanding design advanced nanoporous membranes for various applications