Water distillation modeling by disjoint CNT-based channels under the influence of external electric fields

SH Rizi and A Lohrasebi, JOURNAL OF MOLECULAR MODELING, 26, 236 (2020).

DOI: 10.1007/s00894-020-04492-4

Using molecular dynamics method, the ion rejection and water flow inside flexible disjoint carbon-based channels were examined in the presence of electric fields. The effects of the carbon nanotube diameters and field magnitude on the nano-channel efficiency were investigated. It was observed that water flow through the filter was modified by increasing the radius of nanotubes, while the salt rejection was reduced. The particles' behaviors inside the channel were described in view of Van der Waals interactions between the water molecules, ions, and carbon atoms. Furthermore, the results indicated that the ion rejection and water flow were increased under the application of proper magnitude of electric fields.

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