Departure from Navier-Stokes hydrodynamics in confined liquids

Travis, Karl P.; Todd, B. D.; Evans, Denis J.

doi:10.1103/physreve.55.4288

Cited by 328 publications

(248 citation statements)

References 8 publications

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“…This finding is consistent with previous investigations of simple fluids, where flow could be modeled using tools from continuum theory when the characteristic flow dimension is at least 10 times the molecular diameter. 17,30 In the 1.66 nm CNT, our predicted flow enhancement is 433. This value is comparable to the lower end of the 560 to 9600 enhancement range measured by Holt et al Our predicted flow enhancement inside the 2.22 nm CNT is 184, which is comparable to the enhancement of 459 we calculate from the data of Joseph and Aluru for a tube of similar diameter.…”

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confidence: 77%

Reassessing Fast Water Transport Through Carbon Nanotubes

2008

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Pressure-driven water flow through carbon nanotubes (CNTs) with diameters ranging from 1.66 to 4.99 nm is examined using molecular dynamics simulation. The flow rate enhancement, defined as the ratio of the observed flow rate to that predicted from the no-slip HagenPoiseuille relation, is calculated for each CNT. The enhancement decreases with increasing CNT diameter and ranges from 433 to 47. By calculating the variation of water viscosity and slip length as a function of CNT diameter, it is found that the results can be fully explained in the context of continuum fluid mechanics. The enhancements are lower than previously reported experimental results, which range from 560 to 100 000, suggesting a miscalculation of the available flow area and/or the presence of an uncontrolled external driving force (such as an electric field) in the experiments.

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confidence: 77%

Reassessing Fast Water Transport Through Carbon Nanotubes

2008

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“…Both experimental [18,19,18] and computational [20,21] studies observed that the interatomic forces between solid and liquid create structured, discrete layers parallel to the channel walls. Such effects change the dynamics within the liquid, and introduce inhomogeneities which challenge the continuum Navier-Stokes equations [22] as well as the applicability of certain assumptions such as the no-slip condition [21,23].…”

Section: Introductionmentioning

confidence: 99%

Thermal behaviour of nanofluids confined in nanochannels

Frank

Drikakis

Asproulis

2015

AIP Conference Proceedings

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Abstract. This work investigates the effect of spatial restriction on the thermal properties of nanofluids. Using Molecular Dynamics simulations, a Copper-Argon nanofluid is restricted within idealized walls. The thermal conductivity of the suspension is calculated using the Green-Kubo relations and is correlated with the volume fraction of the copper particles within the system as well as the channel width. The thermal conductivity is further broken down into its individual components in the three dimensions, revealing anisotropy between the directions parallel and normal to the channel walls. The observed thermodynamic patterns are justified by considering how the spatial restriction affects the liquid structure around the nanoparticle.

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“…local linear constitutive relationships) are still appropriate for water confined to channels of width *1-2 nm (see Bocquet and Charlaix (2010) and references therein), and MD simulations have been used to show that Lennard-Jones (LJ) fluids confined to geometries of *2-3 nm still show continuum behaviour (Huang et al 2007;Sofos et al 2009;Travis et al 1997). For nano-confined fluids below the continuum limit, however, the strain rate can vary rapidly within several molecular diameters due to oscillations in the density; therefore, the stress becomes non-local.…”

Section: Introductionmentioning

confidence: 99%

Molecular dynamics pre-simulations for nanoscale computational fluid dynamics

Holland

Lockerby

Borg

et al. 2014

Microfluid Nanofluid

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We present a procedure for using molecular dynamics (MD) simulations to provide essential fluid and interface properties for subsequent use in computational fluid dynamics (CFD) calculations of nanoscale fluid flows. The MD pre-simulations enable us to obtain an equation of state, constitutive relations, and boundary conditions for any given fluid/solid combination, in a form that can be conveniently implemented within an otherwise conventional Navier-Stokes solver. Our results demonstrate that these enhanced CFD simulations are then capable of providing good flow field results in a range of complex geometries at the nanoscale. Comparison for validation is with full-scale MD simulations here, but the computational cost of the enhanced CFD is negligible in comparison with the MD. Importantly, accurate predictions can be obtained in geometries that are more complex than the planar MD pre-simulation geometry that provides the nanoscale fluid properties. The robustness of the enhanced CFD is tested by application to water flow along a (15,15) carbon nanotube, and it is found that useful flow information can be obtained.

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Departure from Navier-Stokes hydrodynamics in confined liquids

Cited by 328 publications

References 8 publications

Reassessing Fast Water Transport Through Carbon Nanotubes

Reassessing Fast Water Transport Through Carbon Nanotubes

Thermal behaviour of nanofluids confined in nanochannels

Molecular dynamics pre-simulations for nanoscale computational fluid dynamics

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