2007
DOI: 10.1088/0957-4484/18/47/475704
|View full text |Cite
|
Sign up to set email alerts
|

Water self-diffusion through narrow oxygenated carbon nanotubes

Abstract: The hydrophobic interior of carbon nanotubes, which is reminiscent of ion channels in cellular membranes, has inspired scientific research directed towards the production of, for example, membranes for water desalination, drug-delivery devices, and nanosyringes. To develop these technologies it is crucial to understand and predict the equilibrium and transport properties of confined water. We present here a series of molecular dynamics simulation results conducted to understand the extent to which the presence… Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
1
1
1

Citation Types

2
70
0

Year Published

2009
2009
2021
2021

Publication Types

Select...
7
2

Relationship

1
8

Authors

Journals

citations
Cited by 76 publications
(72 citation statements)
references
References 61 publications
2
70
0
Order By: Relevance
“…To ensure progress in GO membranes it should be investigated how oxygenated groups could affect these results, both in terms of the structure and the dynamics of confined water, and in terms of its tendency to de--wet the pores. In fact, it has been shown that the presence of a few groups that favorably interact with water on an otherwise hydrophobic surface strongly affect both the structure of interfacial water (27,86,87) and the tendency of water to evacuate the confined region (88--90). …”
Section: Graphene -Based Membranesmentioning
confidence: 99%
See 1 more Smart Citation
“…To ensure progress in GO membranes it should be investigated how oxygenated groups could affect these results, both in terms of the structure and the dynamics of confined water, and in terms of its tendency to de--wet the pores. In fact, it has been shown that the presence of a few groups that favorably interact with water on an otherwise hydrophobic surface strongly affect both the structure of interfacial water (27,86,87) and the tendency of water to evacuate the confined region (88--90). …”
Section: Graphene -Based Membranesmentioning
confidence: 99%
“…Joseph and Aluru also showed that changes in the effective tube--water interactions, atomic--scale roughness of the CNTs walls, and even small increases in the atomic carbon--carbon distance within the CNTs can decrease the water flow, further suggesting that the nanotube properties can manipulate the water transport. As one might expect, even just a few defects, e.g., a few oxygenated sites (27), or constrictions along the tube axis (28), can affect the water flow through CNTs. On the experimental front, Majumder et al (29,30) fabricated membranes composed of aligned multi--walled CNTs of ~ 7nm diameter, with area density of 5•10 10 per cm 2 , crossing a polystyrene film.…”
mentioning
confidence: 99%
“…In the case of water, nano-confinement suppresses crystallization altogether, modifying the water phase diagram and leading to a metastable supercooled liquid. Nano-porous carbon compounds are perfect examples of confining media that have inspired research on supercooled water [5,6], and that continue to stimulate applied research for developing for example high-performing membranes for water desalination, nanofluidic devices, and alternative drug delivery methods [7].…”
Section: Introductionmentioning
confidence: 99%
“…Indeed, up to now only the direct, mechanical effect of defects on liquid-solid friction has been explored using simulation approaches based on force field molecular dynamics. 38,39 At the same time, recent work shows that it is now possible to explore hydrodynamics of confined liquids with ab initio molecular dynamics (AIMD), i.e. molecular dynamics simulations where forces are obtained from electronic structure calculations.…”
mentioning
confidence: 99%