Density and viscosity profiles governing nanochannel flow

Zhang, Yongbin

doi:10.1016/j.physa.2019.01.079

Cited by 5 publications

(3 citation statements)

References 23 publications

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“…By this way, as FFAM describes, the averaged local density and local viscosity profiles across the channel height in FFAM are the same with those in MDS, and the physical nature of the simulated system in FFAM is the same with that in MDS. These are sufficient as the flow velocity profile across the channel height is determined by the averaged density profile in the median section of the channel height, not by the density profile near the solid walls which might be highly oscillatory 59 .…”

Section: Molecular Dynamics Simulationmentioning

confidence: 99%

Direct matching between the flow factor approach model and molecular dynamics simulation for nanochannel flows

Jiang

Zhang

2022

Sci Rep

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Mathematically formulating nanochannel flows is challenging. Here, the values of the characteristic parameters were extracted from molecular dynamics simulation (MDS), and directly input to the closed-form explicit flow factor approach model (FFAM) for nanochannel flows. By this way, the physical nature of the simulated system in FFAM is the same with that in MDS. Two nano slit channel heights respectively with two different liquid-channel wall interactions were addressed. The flow velocity profiles across the channel height respectively calculated from MDS and FFAM were compared. By introducing the equivalent value $${{\Delta_{im} } \mathord{\left/ {\vphantom {{\Delta_{im} } D}} \right. \kern-\nulldelimiterspace} D}$$ Δ im / D , FFAM fairly agrees with MDS for all the cases. The study values FFAM in simulating nanochannel flows.

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Section: Molecular Dynamics Simulationmentioning

confidence: 99%

Direct matching between the flow factor approach model and molecular dynamics simulation for nanochannel flows

Jiang

Zhang

2022

Sci Rep

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“…This equation can be used in order to calculate E provided the dependence of w p (c) on c is known. Then, B and F can be expressed via E by employing (19) and (18), respectively, while A is given by (17). The reaction rate is expressed via E as For the first-order reaction (11), Eq.…”

Section: With the Dirichlet Boundary Conditionsmentioning

confidence: 99%

“…One can of course use more complex 2D or 3D models of this reactor and analyze them numerically (see, e.g., Refs. [15][16][17] for various related aspects). All these (1D, 2D, and 3D) models are complementary and their applications depend on circumstances.…”

Section: Introductionmentioning

confidence: 99%

Kinetics of Reaction on a Single Catalytic Particle in a Fluidic Nanochannel

Zhdanov

2019

Catal Lett

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One of the frontiers in heterogeneous catalysis is focused on reactions occurring on single catalytic nanoparticles. In this context, a reaction taking place on a single nanoparticle in a fluidic nanochannel is herein described by using the equation similar to that employed for a plug-flow reactor with dispersion. In the literature, one can find various boundary conditions for this equation. In the practically interesting case of a relatively long channel, the Dirichlet boundary conditions are shown to be valid. The corresponding analytical and numerical results illustrate the specifics of the profiles of the reactant concentration along the channel and the dependence of the reaction rate on the parameters. For comparison, the Danckwerts boundary conditions were used as well.

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Modeling of flow in a very small surface separation

Zhang

2020

Applied Mathematical Modelling

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Density and viscosity profiles governing nanochannel flow

Cited by 5 publications

References 23 publications

Direct matching between the flow factor approach model and molecular dynamics simulation for nanochannel flows

Direct matching between the flow factor approach model and molecular dynamics simulation for nanochannel flows

Kinetics of Reaction on a Single Catalytic Particle in a Fluidic Nanochannel

Modeling of flow in a very small surface separation

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