Abstract
In this study, we have investigated how to control the net flux of water molecules transported through a CNT using an orthogonal and axial electric field. The flow of water molecules through CNT decrease as the orthogonal electric field strength (E) increased from 1 to 3 V nm–1. When E increases over 3 V nm–1, the flow of water molecules through the CNT was turned off and zero water flow was observed. Both the number of water molecules in tube and free energy values was influenced by water flow. A reverse behavior was observed in the case of axial electric field by constantly maintaining electric field direction in the direction of the water flow. Increase of water flow with E of axial electric field was revealed and it can be concluded that water permeation through CNT is much sensitive to the axial electric field strength than the orthogonal electric field.
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Ghadamgahi, M., Ajloo, D. Molecular dynamics simulation of the water transportation through a carbon nanotube. The effect of electric field. Russ. J. Phys. Chem. 89, 2120–2125 (2015). https://doi.org/10.1134/S0036024415110059
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DOI: https://doi.org/10.1134/S0036024415110059