How does water-nanotube interaction influence water flow through the nanochannel?

Li, Xiaoyi; Shi, Yuhua; Yang, Yuling; Du, Huailiang; Zhou, Ruhong; Zhao, Yuliang

doi:10.1063/1.4707346

Cited by 18 publications

(10 citation statements)

References 54 publications

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“…The study on the flow of water across nanochannels or microchannels has many applications, e.g., for understanding biological activities [1][2][3][4][5][6][7][8], for designing nanodevices or nanomachines [6,[9][10][11], and even for studying the coalescence of Pickering emulsion droplets [12]. For example, it was found that the measured water flow across nanotubes exceeded values calculated from continuum hydrodynamics models by more than three orders of magnitude and that water permeation abilities of these nanotube-based membranes were several orders of magnitude higher than those of commercial polycarbonate membranes [13].…”

Section: Introductionmentioning

confidence: 99%

Enhanced permeation of single-file water molecules across a noncylindrical nanochannel

Meng

2013

Phys. Rev. E

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We utilize molecular dynamics simulations to study the effect of noncylindrical shapes of a nanochannel (which are inspired from the shape of real biological water nanochannels) on the permeation of single-file water molecules across the nanochannel. Compared with the cylindrical shape that has been tremendously adopted in the literature, the noncylindrical shapes play a crucial role in enhancing water permeation. Remarkably, the maximal enhancement ratio reaches a value of 6.28 (enhancement behavior). Meanwhile, the enhancement becomes saturated when the volume of the noncylindrical shape continues to increase (saturation behavior). The analysis of average diffusivity of water molecules helps to reveal the mechanism underlying the two behaviors whereas Poiseuille's law fails to explain them. These results pave a way for designing high-flow nanochannels and provide insight into water permeation across biological water nanochannels.

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Section: Introductionmentioning

confidence: 99%

Enhanced permeation of single-file water molecules across a noncylindrical nanochannel

Meng

2013

Phys. Rev. E

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“…Previous studies have demonstrated that when confined in nanochannels with sizes ranging from sub-nanometer to several nanometers, fluids can exercise unconventional and sometimes even counterintuitive behaviors121314151617. Such behaviors are mainly due to the fact that the interactions among the fluid ions or molecules change dramatically when they are in close contact with the confining walls1518. Both molecular simulations and experimental works have revealed that the flow rate of water through a few layered GE is orders of magnitude higher than that predicted by the conventional Hagen-Poiseuille law71419.…”

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confidence: 99%

Channel morphology effect on water transport through graphene bilayers

Liu

Law

et al. 2016

Sci Rep

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The application of few-layered graphene-derived functional thin films for molecular filtration and separation has recently attracted intensive interests. In practice, the morphology of the nanochannel formed by the graphene (GE) layers is not ideally flat and can be affected by various factors. This work investigates the effect of channel morphology on the water transport behaviors through the GE bilayers via molecular dynamics simulations. The simulation results show that the water flow velocity and transport resistance highly depend on the curvature of the graphene layers, particularly when they are curved in non-synergic patterns. To understand the channel morphology effect, the distributions of water density, dipole moment orientation and hydrogen bonds inside the channel are investigated, and the potential energy surface with different distances to the basal GE layer is analyzed. It shows that the channel morphology significantly changes the distribution of the water molecules and their orientation and interaction inside the channel. The energy barrier for water molecules transport through the channel also significantly depends on the channel morphology.

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“…In order to understand those different behaviours, as Li et al [31] pointed out that the van der Walls interaction is much stronger than the electrostatic interaction energy. Thus, we calculate the interactions potential of van der Waals between water molecules in SWCNT A and the carbon atoms along the centre of SWCNT A axes.…”

Section: Resultsmentioning

confidence: 98%

Enhancement of water flow across a carbon nanotube

Meng

Huang

2015

Molecular Simulation

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It is important to investigate how to enhance the flow rate of single-file water molecules across nanochannels. To our knowledge, all the existing methods are based on pressure gradients, external point charges or uniform/graded electric fields. Accordingly, these methods are all based on exogenous tools, and thus bring challenges for both energy-saving and miniaturisation. In contrast, here we manage to reveal an endogenously determined mechanism of flow enhancement. On the basis of molecular dynamics simulations, we investigate water permeation across a single-walled carbon nanotube (SWCNT A) in the presence of another SWCNT (SWCNT B). We find that the flow rate of the single-file water molecules across SWCNT A is enhanced for the case of unblocked SWCNT B compared with the rate for the case of blocked SWCNT B, and that this flow rate is determined by the separation between the two SWCNTs and the diameter of SWCNT B.

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How does water-nanotube interaction influence water flow through the nanochannel?

Cited by 18 publications

References 54 publications

Enhanced permeation of single-file water molecules across a noncylindrical nanochannel

Enhanced permeation of single-file water molecules across a noncylindrical nanochannel

Channel morphology effect on water transport through graphene bilayers

Enhancement of water flow across a carbon nanotube

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