Molecular Dynamics Study on Fluid Flow in Nanochannels With Permeable Walls

2016 ◽  
Author(s):  
Jian-Fei Xie ◽  
Bing-Yang Cao
Keyword(s):  
Molecular Dynamics ◽  
Boundary Condition ◽  
Fluid Flow ◽  
Slip Velocity ◽  
Smooth Surface ◽  
Porous Wall ◽  
Permeable Surface ◽  
Fluid Density ◽  
Maxwell Theory ◽  
Permeable Walls

This paper presents the fluid flow in nanochannels with permeable walls using the molecular dynamics (MD) simulations. A three-dimensional Couette flow has been carried out to investigate the effect of the permeable surface on the fluid density distributions and the slip velocity. The ordering layer of molecules is constructed near the smooth surface but it was destroyed by the permeable ones resulting in the density drop in porous wall. The fluid density in porous wall is large under strong fluid-structure interaction (FSI) and it is decreased under weak FSI. The negative slip is observed for fluid flow past solid walls under strong FSI, no-slip under medium FSI and positive slip under weak FSI whatever it is smooth or porous. Moreover, the largest slip velocity and slip length occur on the smooth surface of solid wall. As predicted by Maxwell theory, the molecule is bounced back when it impinges on the smooth surface. The molecules, however, can reside in porous wall by replacing the molecules that are trapped in the pores. Moreover, the molecule can escape from the pore and enter the channel becoming a free molecule. After travelling for a period time in the channel, the molecule can enter the pore again. During the molecular movement, the momentum exchange has been implemented not only between fluid molecules and wall but also between the fluid molecules themselves in the pore, and the multi-collision between fluid molecules takes place. The reduced slip velocity at the porous wall results in the larger friction coefficient compared to the smooth surface wall. The molecular boundary condition predicted by Maxwell theory on the smooth surface is no longer valid for flow past the permeable surface, and a novel boundary condition should be introduced.

scholarly journals Non-Newtonian fluid flow in an axisymmetric channel with porous wall

2013 ◽  
Vol 2 (4) ◽  
pp. 254-262 ◽  
Author(s):  
M. Hosseini ◽  
Z. Sheikholeslami ◽  
D.D. Ganji
Keyword(s):  
Fluid Flow ◽  
Newtonian Fluid ◽  
Porous Wall ◽  
Axisymmetric Channel

Molecular dynamics of fluid flow at solid surfaces

1989 ◽  
Vol 1 (5) ◽  
pp. 781-794 ◽  
Author(s):  
Joel Koplik ◽  
Jayanth R. Banavar ◽  
Jorge F. Willemsen
Keyword(s):  
Molecular Dynamics ◽  
Fluid Flow ◽  
Solid Surfaces

Numerical investigation of laminar forced convection for a non-Newtonian nanofluids flowing inside an elliptical duct under convective boundary condition

2019 ◽  
Vol 29 (1) ◽  
pp. 334-364 ◽  
Author(s):  
Haroun Ragueb ◽  
Kacem Mansouri
Keyword(s):  
Heat Transfer ◽  
Boundary Condition ◽  
Heat Transfer Coefficient ◽  
Fluid Flow ◽  
Transfer Coefficient ◽  
Convective Boundary Condition ◽  
Bulk Temperature ◽  
Convective Boundary ◽  
Content Type ◽  
The Heat Transfer Coefficient

PurposeThe purpose of this study is to investigate the thermal response of the laminar non-Newtonian fluid flow in elliptical duct subjected to a third-kind boundary condition with a particular interest to a non-Newtonian nanofluid case. The effects of Biot number, aspect ratio and fluid flow behavior index on the heat transfer have been examined carefully.Design/methodology/approachFirst, the mathematical problem has been formulated in dimensionless form, and then the curvilinear elliptical coordinates transform is applied to transform the original elliptical shape of the duct to an equivalent rectangular numerical domain. This transformation has been adopted to overcome the inherent mathematical deficiency due to the dependence of the ellipsis contour on the variables x and y. The yielded problem has been successfully solved using the dynamic alternating direction implicit method. With the available temperature field, several parameters have been computed for the analysis purpose such as bulk temperature, Nusselt number and heat transfer coefficient.FindingsThe results showed that the use of elliptical duct enhances significantly the heat transfer coefficient and reduces the duct’s length needed to achieve the thermal equilibrium. For some cases, the reduction in the duct’s length can reach almost 50 per cent compared to the circular pipe. In addition, the analysis of the non-Newtonian nanofluid case showed that the addition of nanoparticles to the base fluid improves the heat transfer coefficient up to 25 per cent. The combination of using an elliptical duct and the addition of nanoparticles has a spectacular effect on the overall heat transfer coefficient with an enhancement of 50-70 per cent. From the engineering applications view, the results demonstrate the potential of elliptical duct in building light-weighted compact shell-and-tube heat exchangers.Originality/valueA complete investigation of the heat transfer of a fully developed laminar flow of power law fluids in elliptical ducts subject to the convective boundary condition with application to non-Newtonian nanofluids is addressed.

Examination of the Slip Boundary Condition by µ-PIV and Lattice Boltzmann Simulations

2002 ◽  
Author(s):  
Derek C. Tretheway ◽  
Luoding Zhu ◽  
Linda Petzold ◽  
Carl D. Meinhart
Keyword(s):  
Boundary Condition ◽  
Shear Rate ◽  
Channel Flow ◽  
Lattice Boltzmann ◽  
Slip Velocity ◽  
Slip Length ◽  
Slip Boundary Condition ◽  
Slip Boundary ◽  
Lattice Boltzmann Simulations ◽  
Bounce Back

This work examines the slip boundary condition by Lattice Boltzmann simulations, addresses the validity of the Navier’s hypothesis that the slip velocity is proportional to the shear rate and compares the Lattice Boltzmann simulations to the experimental results of Tretheway and Meinhart (Phys. of Fluids, 14, L9–L12). The numerical simulation models the boundary condition as the probability, P, of a particle to bounce-back relative to the probability of specular reflection, 1−P. For channel flow, the numerically calculated velocity profiles are consistent with the experimental profiles for both the no-slip and slip cases. No-slip is obtained for a probability of 100% bounce-back, while a probability of 0.03 is required to generate a slip length and slip velocity consistent with the experimental results of Tretheway and Meinhart for a hydrophobic surface. The simulations indicate that for microchannel flow the slip length is nearly constant along the channel walls, while the slip velocity varies with wall position as a results of variations in shear rate. Thus, the resulting velocity profile in a channel flow is more complex than a simple combination of the no-slip solution and slip velocity as is the case for flow between two infinite parallel plates.

Numerical Investigation of Heat Transfer in Rectangular Microchannels Under H2 Boundary Condition During Developing and Fully Developed Laminar Flow

2011 ◽  
Vol 134 (2) ◽  
Author(s):  
V. V. Dharaiya ◽  
S. G. Kandlikar
Keyword(s):  
Heat Transfer ◽  
Boundary Condition ◽  
Heat Flux ◽  
Fluid Flow ◽  
Microfluidic Devices ◽  
Transport Processes ◽  
Uniform Heat Flux ◽  
Data Set ◽  
Nusselt Numbers ◽  
Aspect Ratios

Study of fluid flow characteristics at microscale is gaining importance with shrinking device sizes. Better understanding of fluid flow and heat transfer in microchannels will have important implications in electronic chip cooling, heat exchangers, MEMS, and microfluidic devices. Due to short lengths employed in microchannels, entrance header effects can be significant and need to be investigated. In this work, three dimensional model of microchannels, with aspect ratios (α = a/b) ranging from 0.1 to 10, are numerically simulated using CFD software tool fluent. Heat transfer effects in the entrance region of microchannel are presented by plotting average Nusselt number as a function of nondimensional axial length x*. The numerical simulations with both circumferential and axial uniform heat flux (H2) boundary conditions are validated for existing data set for four wall heat flux case. Large numerical data sets are generated in this work for rectangular cross-sectional microchannels with heating on three walls, two opposing walls, one wall, and two adjacent walls under H2 boundary condition. This information can provide better understanding and insight into the transport processes in the microchannels. Although the results are seen as relevant in microscale applications, they are applicable to any sized channels. Based on the numerical results obtained for the whole range, generalized correlations for Nusselt numbers as a function of channel aspect ratio are presented for all the cases. The predicted correlations for Nusselt numbers can be very useful resource for the design and optimization of microchannel heat sinks and other microfluidic devices.

Molecular Dynamics Simulations of Interfacial Heat and Mass Transfer at Nanostructured Surface

2007 ◽  
Author(s):  
Gyoko Nagayama ◽  
Masako Kawagoe ◽  
Takaharu Tsuruta
Keyword(s):  
Heat Transfer ◽  
Molecular Dynamics ◽  
Boundary Condition ◽  
Thermal Resistance ◽  
Hydrodynamic Resistance ◽  
Hydrophilic Surface ◽  
Dynamics Simulations ◽  
Solid Liquid Interface ◽  
Solid Liquid ◽  
The Continuum

The nanoscale heat and mass transport phenomena play important roles on the applications of nanotechnologies with great attention to its differences from the continuum mechanics. In this paper, the breakdown of the continuum assumption for nanoscale flows has been verified based on the molecular dynamics simulations and the heat transfer mechanism at the nanostructured solid-liquid interface in the nanochannels is studied from the microscopic point of view. Simple Lennard-Jones (LJ) fluids are simulated for thermal energy transfer in a nanochannel using nonequilibrium molecular dynamics techniques. Multi-layers of platinum atoms are utilized to simulate the solid walls with arranged nanostructures and argon atoms are employed as the LJ fluid. The results show that the interface structure (i.e. the solid-like structure formed by the adsorption layers of liquid molecules) between solid and liquid are affected by the nanostructures. It is found that the hydrodynamic resistance and thermal resistance dependents on the surface wettability and for the nanoscale heat and fluid flows, the interface resistance cannot be neglected but can be reduced by the nanostructures. For the hydrodynamic boundary condition at the solid-liquid interface, the no-slip boundary condition holds good at the super-hydrophilic surface with large hydrodynamic resistance. However, apparent slip is observed at the low hydrodynamic resistance surface when the driving force overcomes the interfacial resistance. For the thermal boundary condition, it is found that the thermal resistance at the interface depends on the interface wettability and the hydrophilic surface has lower thermal resistance than that of the hydrophobic surfaces. The interface thermal resistance decreases at the nanostructed surface and significant heat transfer enhancement has been achieved at the hydrophilic nanostructured surfaces. Although the surface with nanostrutures has larger surface area than the flat surface, the rate of heat flux increase caused by the nanostructures is remarkable.

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