Simulation of low speed 3D nanochannel flow

Zhang, Wenfei; Li, Dongqing

doi:10.1007/s10404-006-0133-4

Cited by 12 publications

(3 citation statements)

References 19 publications

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“…In these cases, the bulk liquid flow velocity is overestimated. This has been verified by the error theory and simulation analyses (Zhang and Li 2007). In order to extract the true liquid bulk flow velocity caused by the externally applied forces, Zhang and Ely (2004) proposed a new linearized algorithm, where the total flow velocity is the linear accumulation of the flow velocity increment of each time step.…”

Section: Special Statistical Methods For Low Speed Flowsmentioning

confidence: 99%

Molecular dynamics simulation of nanoscale liquid flows

2010

Microfluid Nanofluid

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149

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Molecular dynamics (MD) simulation is a powerful tool to investigate the nanoscale fluid flow. In this article, we review the methods and the applications of MD simulation in liquid flows in nanochannels. For pressuredriven flows, we focus on the fundamental research and the rationality of the model hypotheses. For electrokineticdriven flows and the thermal-driven flows, we concentrate on the principle of generating liquid motion. The slip boundary condition is one of the marked differences between the macro-and micro-scale flows and the nanoscale flows. In this article, we review the parameters controlling the degree of boundary slip and the new findings. MD simulation is based on the Newton's second law to simulate the particles' interactions and consists of several important processing methods, such as the thermal wall model, the cut-off radius, and the initial condition. Therefore, we also reviewed the recent improvement in these key methods to make the MD simulation more rational and efficient. Finally, we summarized the important discoveries in this research field and proposed some worthwhile future research directions.

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Section: Special Statistical Methods For Low Speed Flowsmentioning

confidence: 99%

Molecular dynamics simulation of nanoscale liquid flows

2010

Microfluid Nanofluid

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149

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“…In a normal MDS, the flow velocity in a nano channel should be sufficiently high to reduce the calculation errors caused by the thermal motion of molecules. Zhang and Li (2007) developed an MDS scheme which can calculate the low flow velocity in a nano channel flow.…”

Section: Full Mds Modelmentioning

confidence: 99%

Modeling of Micro/Nano Channel Flows

Zhang¹

2017

Frontiers in Heat and Mass Transfer

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This paper reviews the models for the fluid flow in micro/nano channels developed previously. These models include the full MDS (molecular dynamics simulation) model, the quasi-continuum model, the modified Navier-Stokes equation model, the dissipative particle dynamics method, the lattice Boltzman method, the multiscale hybrid model and the flow factor approach model. It was pointed out that most of the models have their own imperfections like huge time and computer storage consumption for simulating a system of realistic size or inaccuracy because of the model limitation. It was also mentioned that the most challenging is to develop efficient models for simulating engineering flows which often occur in much longer channels than currently simulated on a computer. These welcome models should be sufficiently accurate with fast calculation and acceptable computer storage consumption.

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“…The knowledge about behavior of fluids confined in nanopores and nanochannels is of considerable importance in various industrial processes and scientific fields including in fluids in porous media, in lubrication, in tribology and in the emerging fields of nanoscience and nanotechnology (Ziarani and Mohamad 2006;Zhang and Li 2007;Mansoori 2005). The physics of fluids confined between two parallel walls in a nanoscale distance is quite different from their three-dimensional bulk behavior.…”

Section: Introductionmentioning

confidence: 99%

Behavior of confined fluids in nanoslit pores: the normal pressure tensor

Keshavarzi

Sedaghat

Mansoori

2009

Microfluid Nanofluid

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The aim of our research is to develop a theory, which can predict the behavior of confined fluids in nanoslit pores. The nanoslit pores studied in this work consist of two structureless and parallel walls in the xy plane located at z = 0 and z = H, in equilibrium with a bulk homogeneous fluid at the same temperature and at a given uniform bulk density. We have derived the following general equation for prediction of the normal pressure tensor P zz of confined inhomogeneous fluids in nanoslit pores:12 Þq ð2Þ r * 12 ; r * 1 ðr 12z Þ 2 r * 12 dr * 12 ;where r 12 r 1 À r 2 is the intermolecular position vector of molecule 2 with respect to molecule 1 and r 12z ¼ jr 12 j z is the projection of distance of molecule 1 from molecule 2 in the z-direction. This equation may be solved for any fluid possessing a defined intermolecular pair-potential energy function, u r 12 ð Þ; confined in a nanoslit pore and with a given fluid molecules-wall interaction potential function / ext . As an important example of its application we have solved this equation for the hard-sphere fluid confined between two parallel-structureless hard walls with different nanometer distances and at various uniform bulk densities. Our results indicate the oscillatory form of the normal pressure tensor versus distance from the wall at high densities. As the density of the nanoconfined fluid decreases, the height and depth of the normal pressure tensor oscillations are reduced.

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Simulation of low speed 3D nanochannel flow

Cited by 12 publications

References 19 publications

Molecular dynamics simulation of nanoscale liquid flows

Molecular dynamics simulation of nanoscale liquid flows

Modeling of Micro/Nano Channel Flows

Behavior of confined fluids in nanoslit pores: the normal pressure tensor

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