Sharif Digital Repository

We investigate the effect of wall roughness on water electrolyte transport characteristics at different temperatures through carbon nanotubes by using nonequilibrium molecular dynamics simulations. Our results reveal that shearing stress and the nominal viscosity increase with ion concentration in corrugated carbon nanotubes (CNTs), in contrast to cases in smooth CNTs. Also, the temperature increase leads to the reduction of shearing stress and the nominal viscosity at moderate degrees of wall roughness. At high degrees of wall roughness, the temperature increase will enhance radial movements and increases resistance against fluid motion. As the fluid velocity increases, the particles do not... 

We investigate the effect of wall roughness on water electrolyte transport characteristics at different temperatures through carbon nanotubes by using nonequilibrium molecular dynamics simulations. Our results reveal that shearing stress and the nominal viscosity increase with ion concentration in corrugated carbon nanotubes (CNTs), in contrast to cases in smooth CNTs. Also, the temperature increase leads to the reduction of shearing stress and the nominal viscosity at moderate degrees of wall roughness. At high degrees of wall roughness, the temperature increase will enhance radial movements and increases resistance against fluid motion. As the fluid velocity increases, the particles do not... 

Long-time interaction of dewetting nanodroplets is investigated using a long-wave approximation method. Although three-dimensional (3D) droplets evolution dynamics exhibits qualitative behavior analogous to two-dimensional (2D) dynamics, there is an extensive quantitative difference between them. 3D dynamics is substantially faster than 2D dynamics. This can be related to the larger curvature and, as a consequence, the larger Laplace pressure difference between the droplets in 3D systems. The influence of various chemical heterogeneities on the behavior of droplets has also been studied. In the case of gradient surfaces, it is shown how the gradient direction could change the dynamics. For a... 

We investigate the time-dependent evolution of thin liquid films over inclined substrates using a multi-component lattice Boltzmann algorithm. Substrates with and without grooves are considered and the effects of the inclination angle on the dynamics and the coating of the substrates are studied. Our results indicate that the dynamics is enhanced and the ridge height and its displacement are increased by increasing the inclination angle. However, by increasing the inclination angle the maximum depth that can be successfully coated is reduced. Also, although for any given groove depth the width should be larger than a critical value for successful coating, the critical width decreases for... 

We report different morphologies of nanodroplets over various topographical features of the supporting substrates. The effects of different parameters such as the profile of the disjoining pressure, droplet size and the geometrical parameters are studied and discussed. Also, the effects of a coating layer on the surface of the substrate are determined. It is demonstrated that the nanodroplets at some positions are not stable and gradually move to more stable positions so that the system has less energy. For grooves this results in a series of morphology diagrams of the nanodroplets over the grooves as a function of the grooves' width and the liquid volume  

We employ numerical simulations to investigate the breakup of droplets in micro- and nanoscale T junctions, which are used to produce small droplets from a large droplet. For this purpose a Volume f Fluid (VOF) based method is used and for verifying the reliability of the numerical outcomes, the results are compared with the available experimental and analytical results. Our results reveal that breakup time and breakup length of the droplets play important roles in handling these systems optimally. Our results also indicate that for nanoscale Tjunctions by increasing the capillary number the performance increases while for the micro-scale systems there is a specific capillary number for... 

A multicomponent lattice Boltzmann scheme is used to investigate the surface coating of substrates with two topographical features by a gravity-driven thin liquid film. The considered topographies are U- and V-shaped grooves and mounds. For the case of substrates with two grooves, our results indicate that for each of the grooves there is a critical width such that if the groove width is larger than the critical width, the groove can be coated successfully. The critical width of each groove depends on the capillary number, the contact angle, the geometry, and the depth of that groove. The second groove critical width depends on, in addition, the geometry and the depth of the first groove;... 

Employing a biharmonic boundary integral method with linear elements, coarsening dynamics of nanodroplets on topographical step heterogeneity is investigated. It is shown that the step height and droplet configuration have an influential effect on the dynamics. Increasing the step height slows down the process while locating the droplets close to the step boosts the coarsening rate. Considering a slip boundary condition enhances the dynamics and reveals a transition in the droplet migration direction. Our results reveal that increasing the surface wettability weakens the dynamics. Various types of the disjoining pressure over the step are also considered and their effects on the coarsening... 

Mesoscopic hydrodynamic equations are solved to investigate late-stage evolution of thin liquid films over step topographies. Different geometrical parameters including step height and initial position and configuration of resultant masses of dewetting (droplets) are probed to find their effects on the mass evolution of the system. Our results indicate that increasing the step height and locating the droplets close to the step enhance the dynamics and accelerate smaller droplet collapse  

We investigate thin liquid film coating of substrates with trenches via lattice Boltzmann method. The effects of different parameters such as the capillary number, the contact angles and geometric parameters on the results are studied. Our results indicate that for trench depths greater than a critical size coating of the trench is not successful. The critical depth increases by decreasing the capillary number. Moreover we find height, width, capillary number and contact angle under which the coating is successful. The results have been compared with the available results and very close agreement has been achieved  

A multi-component lattice Boltzmann scheme is used to investigate the dynamics of a wettability driven droplet within a microchannel. The driving force for the motion is created by a stepwise change in the wettability of the channel walls. Moreover, an analytical solution is developed for evaluation of the dynamics of the droplet inside the channel. The effects of various parameters such as the height of the channel, the wetting pattern of the channel walls, the viscosity and the density ratio on the dynamics are studied. Also, the effect of grooves of different sizes on the channel surfaces on the dynamics of the droplet is investigated for both hydrophilic and hydrophobic surfaces.... 

Particle transport and deposition in a channel flow with elliptic obstruction is studied. Numerical simulation of fluid flow is performed using two-dimensional lattice Boltzmann method, while one-way coupling Lagrangian method for particle tracking is used. Standard particles are injected in the inlet of the channel. Gravity, Drag force, Brownian forces, and the Saffman lift are considered in equation of particle motion. The influence of geometrical parameter, ellipse aspect ratio, is studied on dispersion and deposition of particles as well as the flow parameters, such as Reynolds number. In addition, the effect of particles size -particles of 0.01-10μm in diameter- on dispersion and... 

Breakup of non-uniform droplets in an asymmetric T junction consisting of an inlet channel and two different-size outlet channels has been investigated numerically. Also, an analytical approach in the limit of the lubrication approximation has been extended to provide some analytical relations to study the system and verify the numerical results. Parameters that are important in the performance of the system have been determined and discussed. Our results indicate that smaller droplets can be produced by increasing the capillary number. As the geometry becomes symmetric the pressure drop decreases. Our results also reveal that the breakup time and the pressure drop for this system are... 

Nucleation and growth of condensing droplets on horizontal surfaces are investigated via a 2-D double distribution function thermal lattice Boltzmann method. First, condensation on completely uniform surface is investigated and different mechanisms which cause dropwise and filmwise condensation are studied. The results reveal the presence of cooled vapor layer instability in the condensation on completely smooth surfaces. In the second step, condensation on chemically heterogeneous surfaces is investigated. Moreover, the effect of non-uniformity in the surface temperature is also studied. The results indicate that the vapor layer instability and the nucleation start from the heterogeneities.... 

Standpoints about atrium design have been revolutionized. Nowadays, design of atrium is not only for shine of light, but is also for natural ventilation as well. In high rise building, residents have not a same advantage of buoyancy-driven ventilation that arising from existence of atrium. One strategy to more equalize ventilation and thermal comfort in different levels, is designing building with various opening area in different heights. Present study aims to overcome the problem by changing the atrium shape. Thus, the atrium's wall angularity is changed in different case studies and these shapes are compared with each other in order to find the relations between atrium wall angularity and... 

The World Health Organization (WHO) in 2013 reported that more than seven million unexpected losses every year are credited to air contamination. Because of incredible adaptability and expense viability of fibrous filters, they are broadly used for removing particulates from gasses. The influence of appropriate parameters, e.g., the fiber arrangement, solid volume fraction (SVF or α), fluid flow face velocity (mean inlet velocity), and filter thickness (Ix), on pressure drop and deposition efficiency are researched. Furthermore, to study the effects of variation of the laminar flow regime and fiber’s cross-sectional shape on the deposition of particles, only a single square fiber has been... 

In recent years carbon nanotubes and other carbon nanostructures such as graphene sheets have attracted a lot of attention due to their unique mechanical, thermal and electrical properties. These structures can be used in desalination of sea water, removal of hazardous substances from water tanks, gases separation, and so on. The nanoporous single layer graphene membranes are very efficient for desalinating water due to their very low thickness. In this method, water-flow thorough the membrane and salt rejection strongly depend on the applied pressure and size of nanopores that are created in graphene membrane. In this study, the mechanism of passing water and salt ions through nanoporous... 

Achieving a high speed, unidirectional water flow through carbon nanotubes (CNTs) is a key factor in designing novel nanofluidic devices. In this study, utilizing molecular dynamics (MD) simulations, we propose a novel nanoscale water pump for directed water transportation using charged rotating CNTs. Two basic conditions for stable water flow, including thermodynamic nonequilibrium and spatial asymmetry, are provided by introducing partial charges on carbon atoms of the channel with asymmetric patterns and its rotation, respectively. We demonstrate that the performance of the water pump is proportional to the gradient of a linear charge distribution and angular velocity of the rotation. Our... 

Air pollutants are among the hazardous materials for human health. Therefore, many scientists are interested in removing particles from the carrier gas. In this study, flow of air and airborne particles through the virtual multi-fibrous filters that consist of different fiber cross-sectional shapes and arrangements is simulated where particle deposition and filtration performance are studied. Regular and irregular arrangements of fibers with the circular, elliptical, and equilateral triangular cross sections have been considered. Effects of important parameters such as solid volume fraction, internal structure, and filter thickness on particle collection efficiency and pressure drop are... 

The three-dimensional power law fluid flow through rough microchannels has been studied numerically to determine the effects of the topographic structures on the thermal and hydrodynamic characteristics of the system. Rectangular, triangular and sinusoidal element shapes have been considered in order to investigate the effects of roughness height, width, pitch and channel separation on the pressure drop and heat transfer. Uniform wall heat flux boundary condition has been applied for all the peripheral walls. The results indicate that the global heat transfer performance can be improved or reduced by the roughness elements at the expense of pressure head when compared with the smooth...