Competition between hydrogen bonding and electric field in single-file transport of water in carbon nanotubes

Details Competition between hydrogen bonding and electric field in single-file transport of water in carbon nanotubes Competition between hydrogen bonding and electric field in single-file transport of water in carbon nanotubes

2011-06-22

arxiv.org/abs/1106.4392v1

Physics

Condensed Matter

Soft Condensed Matter

Accepted in Molecular Simulation

Scientific paper

Recent studies have shown the possibility of water transport across carbon nanotubes, even in the case of nanotubes with small diameter (0.822 nm). In this case, water shows subcontinuum transport following an ordered 1D structure stabilized by hydrogen bonds. In this work, we report MD simulations describing the effect of a perpendicular electric field in this single-file water transport in carbon nanotubes. We show that water permeation is substantially reduced for field intensities of 2-3 V/nm and it is no longer possible under perpendicular fields of 4 V/nm.

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