Dissipative particle dynamics simulation of flow through periodic arrays of circular micropillar

Flow through arrays of micropillar embedded inside microfluidic chip systems is important for various microfluidic devices. It is critical to accurately predict the mass flow rate through pillar arrays based on the pillar design. This work presents a dissipative particle dynamics (DPD) model to simulate a problem of flow across periodic arrays of circular micropillar and investigates the permeability of two types of micropillar arrays. The flow fields including horizontal and vertical velocity fields, the number density field, and the streamline of the flow are analyzed. The predicted solid volumes by the presented DPD simulation of both types of arrays are quite close to the actual counterparts. These quantitative agreements show usefulness and effectiveness of the DPD model in simulating arrays of micropillar. By comparing two types of micropillar arrangement patterns, we find that the arrangement pattern of micropillar does not have significant influence on the permeability of the array.     

Dissipative particle dynamics simulation of wettability alternation phenomena in the chemical flooding process

Wettability alternation phenomena is considered one of the most important enhanced oil recovery （EOR） mechanisms in the chemical flooding process and induced by the adsorption of surfactant on the rock surface. These phenomena are studied by a mesoscopic method named as dissipative particle dynamics （DPD）. Both the alteration phenomena of water-wet to oil-wet and that of oil-wet to water-wet are simulated based on reasonable definition of interaction parameters between beads. The wetting hysteresis phenomenon and the process of oil-drops detachment from rock surfaces with different wettability are simulated by adding long-range external forces on the fluid particles. The simulation results show that, the oil drop is liable to spread on the oil-wetting surface and move in the form of liquid film flow, whereas it is likely to move as a whole on the waterwetting surface. There are the same phenomena occuring in wettability-alternated cases. The results also show that DPD method provides a feasible approach to the problems of seepage flow with physicochemical phenomena and can be used to study the mechanism of EOR of chemical flooding.     

Brownian dynamics simulation of rodlike polymers under shear flow

The highly nonlinear behaviors of rodlike polymers in nematic phase under shear flow are studied with Brownian dynamics simulation. The LebwohlLasher nematogen model is taken as the prototype of the simulation and the mean-field approximation is avoided. By considering the nearest-neighbor intermolecular interaction, the spatial orientational correlation is introduced and therefore the spatial inhomogeneity such as the multiple-domain effect can automatically be incorporated. The transient order parameters, birefringence axes, shear stresses and first normal stress differences are calculated. The important finding of this work is that the director wagging and damped oscillation share the same molecular origin as director tumbling. The only difference is that the system is split into micro-domains which tumble with different phase angles in the wagging and damped oscillation regimes. The tumbling of the director of the whole system is suppressed due to the spatial inhomogeneity of director fields and then the damped oscillation of macroscopic stresses becomes predominant. The negative first normal stress difference exists at moderate shear rates, where both elasticity and viscosity play important role. Our simulation results including some dimensionless scaling parameters find good agreement with experimental observations in literature.     

Three-dimensional numerical simulation of drops suspended in simple shear flow at finite Reynolds numbers

A three-dimensional study of suspension of drops in simple shear flow has been performed at finite Reynolds numbers. Results are obtained using a finite difference/front tracking method in a periodic domain. The effects of the Reynolds number and the Capillary number are addressed at two volume fractions: 0.195 and 0.34. It is observed that suspensions of deformable drops exhibit a shear-thinning behavior. Similar to the motion of a single drop, drops migrate away from the walls. The effective viscosity, the first and the second normal stress differences oscillate around a mean value in all cases. The first normal stress difference increases with the Capillary number, the Reynolds number and the volume fraction. Results show that drops deform more and orient more in the flow direction as the Capillary number or the volume fraction is increased. Also, the average size of clusters is smaller than for suspension of rigid particles. The radial dependence of the pair distribution function across the channel has been studied. This dependency shows that the tendency to form clusters is reduced as the Capillary number increases or the volume fraction decreases.     

Brownian dynamics simulation for suspensions of oblong-particles under shear flow

Computer simulations of the shear flow for the suspensions of oblong-particles were performed using nonequilibrium Brownian Dynamics (BD). The model particle is a rigid body made up of linearly connected spheres with the interparticle potential of a repulsive Lennard-Jones potential. The length-over-width ratios of the oblong-particles used in the present calculations are 5/3 and 3. In the concentrated suspensions high orientation is easily induced by shear at low shear rates. The systems of the oblong-particles exhibit the structural transition that causes the significant change in the rheological properties at high shear rates. Furthermore, the dependence of the length-over-width ratio of the particle is examined. Received: 16 June 1997 Accepted: 3 February 1998     

Dynamics and rheology of Janus drops in a steady shear flow

The behavior and rheology of a dispersion of Janus drops (or Janus emulsion) under a steady shear flow are explored in the infinite dilution limit. To achieve analytical progress, the Janus drops are assumed to consist of a pair of fluids bounded to hemispherical domains of equal radii. At ‘freely’ suspended conditions the Janus drops undergo periodic orbits in a shear flow that are intermediate to that of a solid sphere and a disk that depend on the viscosities of the internal fluids. Non-Newtonian behavior is found for this system on account of the anisotropic hydrodynamics of the Janus drops. The viscosity of the Janus emulsion that corresponds to the minimum energy of dissipation is analogous to that derived by Taylor (1932) for a dispersion of simple drops. It is also found that an external force can induce the Janus drops to adopt a preferential orientation in a shear flow. Interestingly, a neutrally buoyant Janus drop with a displaced center of gravity can migrate lateral to the undisturbed shear flow; it is inferred that this phenomenon can lead to spatial-dependent rheology in pressure-driven flows.     

Linear shear flow past a porous particle

Linear shear flow past a porous spherical particle is studied using a generalized boundary condition proposed by Jones. The torque on a porous sphere rotating in a quiescent fluid is calculated. Streamlines patterns are illustrated for the case of a particle freely suspended in a simple shear flow. These patterns are shown to differ significantly from those associated with an impermeable rigid sphere. Finally, an expression for the effective viscosity of a dilute suspension of porous spherical particles is obtained.Nomenclature A, B dimensionless flow parameter - a radius of the porous sphere - C, E, F constants of integration - d shear strength - d constant rate of deformation of ambient field - e rate of strain tensor - f, g functions of distance - k permeability of the porous medium - n unit normal vector - p pressure - p unit vector - Q coefficient of spherical harmonic - q filter velocity within the porous medium - r polar spherical coordinate - S _p surface of porous particle - S, T, T* coefficients of spherical harmonics - T torque exerted on the particle - u fluid velocity vector - x cartesian coordinates - dimensionless constant - , polar spherical coordinates - dimensionless flow parameter - viscosity of the fluid - stress tensor - rotational velocity of the particle - rotational velocity of the ambient field.     

Direct simulation of compressible turbulence in a shear flow

The purpose of this study is to investigate compressibility effects on the turbulence in homogeneous shear flow. We find that the growth of the turbulent kinetic energy decreases with increasing Mach number—a phenomenon which is similar to the reduction of turbulent velocity intensities observed in experiments on supersonic free shear layers. An examination of the turbulent energy budget shows that both the compressible dissipation and the pressure-dilatation contribute to the decrease in the growth of kinetic energy. The pressure-dilatation is predominantly negative in homogeneous shear flow, in contrast to its predominantly positive behavior in isotropic turbulence. The different signs of the pressure-dilatation are explained by theoretical consideration of the equations for the pressure variance and density variance. We previously obtained the following results for isotropic turbulence: first, the normalized compressible dissipation is of O(M _t ² ), and, second, there is approximate equipartition between the kinetic and potential energies associated with the fluctuating compressible mode. Both these results have now been substantiated in the case of homogeneous shear. The dilatation field is significantly more skewed and intermittent than the vorticity field. Strong compressions seem to be more likely than strong expansions.Dedicated to Professor J.L. Lumley on the occasion of his 60th birthday.This research was supported by the National Aeronautics and Space Administration under NASA Contract No. NAS1-18605 while the authors were in residence at the Institute for Computer Applications in Science and Engineering (ICASE), NASA Langley Research Center, Hampton, VA 23665, U.S.A.     

Mass transfer problem for particles,drops and bubbles in a shear flow

A numerical solution of the axisymmetric steady heat and mass transfer problem for spherical particles, drops and bubbles in a linear Stokes shear flow is obtained for the entire range of Péclet numbers. Simple approximate expressions for the average Sherwood number in good agreement with the results of the numerical calculations are proposed.Translated from Izvestiya Akademii Nauk SSSR, Mekhanika Zhidkosti i Gaza, No. 4, pp. 137–141, July–August, 1990.     

Monte Carlo simulation of self-avoiding lattice chains subject to oscillatory shear flow in polymer solution

 This paper has introduced a pseudo-potential in bond-fluctuation model to simulate oscillatory shear flow of multiple self-avoiding chains in three dimensions following our previous work under simple shear flow. The oscillatory flow field was reasonably reproduced by lattice Monte Carlo simulation using this pseudo-potential neglecting hydrodynamic interaction. By sampling the configuration distribution functions, the macroscopic viscoelasticity of semi-concentrated polymer solution was determined. Both Newtonian and non-Newtonian regimes were studied. The complex modulus and dynamic viscosity exhibit a reasonable power relation with oscillatory frequency, which is consistent with present theories and experiments. Consequently, lattice Monte Carlo simulation has been extended to model free-draining self-avoiding multi chains subject to oscillatory shear flow and to investigate associated viscoelasticity on the molecular level. Received: 1 October 1999 Accepted: 19 October 1999     

Computer simulation of polymer brushes under shear

 Recently two different methods were used to simulate the stationary properties of polymer brushes under strong shear: stochastic dynamics of a multi-chain brush model, and self-consistent Brownian dynamics of a one-chain model. The former explicitly describes volume interactions (VI) between polymer segments but does not take into account hydrodynamic interactions (HI) inside the brush. In the latter the self-consistent molecular field method has been chosen to calculate VI, and HI were accounted for using the Brinkman equation. Despite a significant difference between models a collapse of the brush under shear was observed in both studies. In particular, the density profile changes from parabolic to step-like and the free ends of the chains become concentrated in a narrow region at the periphery of the brush. However, when HI are taken into account much higher shear rates are necessary to attain the same brush deformation because the shear flow only slightly penetrates into the brush in contrast to the free-draining case. The inner brush structure is also found to be different for the two models. In the first model all chains are inclined approximately at the same angle when shear is applied. In the second model chains with the free ends found in the inner sublayer of the brush do not feel the flow at all whereas those in the upper sublayer are stretched and inclined by the flow. Received: 24 June 1999 Accepted: 8 February 2000     

Chaotic dynamics of periodically forced spheroids in simple shear flow with potential application to particle separation

In this paper, we consider the technologically important problem of periodically forced spheroids in simple shear flow and demonstrate the existence of chaotic parametric regimes. The approach used by Strand (1989) (for the Strong Brownian limit) is inappropriate in the chaotic regimes corresponding to the weak Brownian limit. Our results also indicate a strong dependence of the solutions obtained on the aspect ratio of the spheroids. This strong dependence on the aspect ratio may be utilized to separate particles from a suspension of particles having different shapes but similar sizes.     

Exponential shear flow of branched polymer melts

  The behavior of a low-density polyethylene melt in exponential shear strain histories is examined and compared to its behavior in constant rate planar elongation. A new set of shear stress and first normal stress difference data in exponential shear are presented and used in several different material functions that have been previously proposed. Viscosities composed of principal stress differences for the two flows showed no correspondence suggesting that, contrary to previous assertions, exponential shear and constant rate planar elongation flows are fundamentally different. It is further suggested that the presence of vorticity makes exponential shear a weak, rather than strong, flow. Received: 5 March 1999/Accepted: 1 September 1999     

Particle dynamics in dense shear granular flow

The particle dynamics in an annular shear granular flow is studied using the discrete element method, and the influences of packing fraction, shear rate and friction coefficient are analyzed. We demonstrate the existence of a critical packing fraction exists in the shear granular flow. When the packing fraction is lower than this critical value, the mean tangential velocity profile exhibits a rate-independent feature. However, when the packing fraction exceeds this critical value, the tangential velocity profile becomes rate-dependent and varies gradually from linear to nonlinear with increasing shear rate. Furthermore, we find a continuous transition from the unjammed state to the jammed state in a shear granular flow as the packing fraction increases. In this transforming process, the force distribution varies distinctly and the contact force network also exhibits different features.     

DEM simulation of particle mixing in a sheared granular flow

Mixing behaviors of particles are simulated in a sheared granular flow using differently colored but otherwise identical glass spheres, with five different bottom wall velocities. By DEM simulation, the solid fractions, velocities, velocity fluctuations and granular temperatures are measured.The mixing layer thicknesses are compared with the calculations from a simple diffusion equation using the data of apparent self-diffusion coefficients obtained from the current simulation measurements. The calculations and simulation results showed good agreements, demonstrating that the mixing process of granular materials occurred through the diffusion mechanism.     

DEM simulation of particle mixing in a sheared granular flow

Mixing behaviors of particles are simulated in a sheared granular flow using differently colored but otherwise identical glass spheres, with five different bottom wall velocities. By DEM simulation, the solid fractions, velocities, velocity fluctuations and granular temperatures are measured. The mixing layer thicknesses are compared with the calculations from a simple diffusion equation using the data of apparent self-diffusion coefficients obtained from the current simulation measurements. The calculations and simulation results showed good agreements, demonstrating that the mixing process of granular materials occurred through the diffusion mechanism.     

Modeling the dynamics of colliding particles in a turbulent shear flow

A kinetic model for the probability density function (PDF) of the particle velocity in a turbulent flow with account for particle collisions is presented. The model is tested by comparison with the results of a numerical experiment for a nonstationary homogeneous shear layer. Moscow. Translated from Izvestiya Rossiiskoi Akademii Nauk, Mekhanika Zhidkosti i Gaza, No. 4, pp. 105–112, July–August, 1998. The study received financial support from the International Science Foundation INTAS (project No. 94-4348) and the Russian Foundation for Basic Research (project No. 97-01-00398).