Diffusion dynamics of water controlled by topology of potential energy surface inside carbon nanotubes

Liu, Yingchun; Shen, Jia-Wei; Gubbins, Keith E.; Moore, Joshua D.; Wu, Tao; Wang, Qi

doi:10.1103/physrevb.77.125438

Cited by 67 publications

(71 citation statements)

References 34 publications

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“…However, DS increases from PVA-2 to PVA-4 nanocomposite membranes due to agglomeration of CNTs in the membranes. Aggregation of the CNTs decreases the compactness of PVA membrane, and also the reduction of polymer chain packing increases free volume of the polymer membrane [36,52]. As a matter of fact, the aggregated CNTs reduce compacting of the polymer chains and the penetrants can permeate through the membrane readily.…”

Section: Swelling Results Of Pva-x Membranementioning

confidence: 97%

Synthesis and characterization of carbon nanotubes/poly vinyl alcohol nanocomposite membranes for dehydration of isopropanol

Shirazi

Tofighy

Mohammadi

2011

Journal of Membrane Science

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Section: Swelling Results Of Pva-x Membranementioning

confidence: 97%

Synthesis and characterization of carbon nanotubes/poly vinyl alcohol nanocomposite membranes for dehydration of isopropanol

Shirazi

Tofighy

Mohammadi

2011

Journal of Membrane Science

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“…Liu et al [11] examined this problem, finding that the activation barrier for molecular diffusion is higher in zigzag CNTs as compared to armchair CNTs, leading to slower diffusion in the former. An explanation frequently given for the enhanced water transport in CNTs concerns both the atomic smoothness of the channels, as well as their hydrophobicity, which leads to a depletion region at the water/CNT interface.…”

Section: Insights Into Nanotube Water Transport Through Molecular Dynmentioning

confidence: 98%

Carbon Nanotubes and Nanofluidic Transport

Holt

2009

Advanced Materials

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Recent strides have been made in both the modeling and measurement of fluid flow on the nanoscale. Carbon nanotubes, with their atomic dimensions and atomic smoothness, are ideal materials for studying such flows. This Progress Report describes recent modeling and experimental advances concerning fluid transport in carbon nanotubes. The varied flow characteristics predicted by molecular dynamics are described, as are the roles of defects and chirality on transport. Analytical models are increasingly being used to describe nanofluidic transport by relaxing many of the assumptions commonly used to describe bulk water. Recent experimental studies examine the size dependence of flow enhancements through carbon nanotubes and use varied spectroscopies to probe water structure and dynamics in these systems. Carbon nanotubes are finding increasing applications in biology, from protein filters to platforms for cell interrogation.

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“…These results are in agreement with recent molecular dynamics and quantum chemistry studies of self-diffusion of water confined inside armchair and zigzag carbon nanotubes. 46 For the double walled carbon nanotubes, we impose a thermal gradient of 2.83 K/nm and observe a thermophoretic motion (solid black square in Figure 5a) similar to that observed for single-walled carbon nanotubes. The terminal center of mass velocity is 53 m/s and similar to the velocity observed for the hydrophilic (ε co ) 0.5643 kJ/mol) singlewalled carbon nanotube of 55 m/s.…”

Section: 29mentioning

confidence: 99%

Thermophoretic Motion of Water Nanodroplets Confined inside Carbon Nanotubes

Zambrano¹,

Walther²,

et al. 2009

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We study the thermophoretic motion of water nanodroplets confined inside carbon nanotubes using molecular dynamics simulations. We find that the nanodroplets move in the direction opposite the imposed thermal gradient with a terminal velocity that is linearly proportional to the gradient. The translational motion is associated with a solid body rotation of the water nanodroplet coinciding with the helical symmetry of the carbon nanotube. The thermal diffusion displays a weak dependence on the wetting of the water-carbon nanotube interface. We introduce the use of the moment scaling spectrum (MSS) in order to determine the characteristics of the motion of the nanoparticles inside the carbon nanotube. The MSS indicates that affinity of the nanodroplet with the walls of the carbon nanotubes is important for the isothermal diffusion and hence for the Soret coefficient of the system.

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Diffusion dynamics of water controlled by topology of potential energy surface inside carbon nanotubes

Cited by 67 publications

References 34 publications

Synthesis and characterization of carbon nanotubes/poly vinyl alcohol nanocomposite membranes for dehydration of isopropanol

Synthesis and characterization of carbon nanotubes/poly vinyl alcohol nanocomposite membranes for dehydration of isopropanol

Carbon Nanotubes and Nanofluidic Transport

Thermophoretic Motion of Water Nanodroplets Confined inside Carbon Nanotubes

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