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G. C. Abade Particle-Velocity Correlations in

A. J. Sousa

Sedimentation

Department of Mechanical Engineering,

University of Brası́lia, In this paper we present direct numerical simulations of monodisperse and polydisperse

Campus Universitário, suspensions of non-Brownian particles sedimenting at low Reynolds number. We describe

70910-900 Brası́lia-DF, Brazil a scheme to generate ergodic ensembles of random particulate systems and a numerical

procedure for computing interactions among spherical particles based on Ewald summa-

tion technique for hydrodynamic mobility tensors. From the generation process truly

E. J. Hinch random both monodisperse and multimodal size distributions of particles were obtained

Department of Applied Mathematics for dilute and moderate densities based on a minimum energy criterion. Concerned with

and Theoretical Physics, computations of the Ewald sums our numerical procedure drastically reduces the CPU

University of Cambridge, simulation time providing results of the hindered settling function in good agreement with

Silver Street, available experimental data and asymptotic results for ordered and random periodic

Cambridge CB3 9EW, UK arrays of particles. We show new computer simulations with no flux boundary perpen-

dicular to gravity and periodic boundary conditions in horizontal direction. The simula-

tions reproduce the experimental correlation-time and anisotropy of the velocity fluctua-

tions, but have the magnitude of these fluctuations increasing proportional to the size of

the system. 关DOI: 10.1115/1.1502665兴

1 Introduction tion screening in sedimentation. Koch and Shaqfeh 关9兴 argued that

screening of the velocity fluctuations results from correlations in

The sedimentation of solid particles in a viscous fluid is a com-

the particle distribution. The distribution is characterized by a net

mon industrial process in civil, chemical, and oil engineering.

deficit of exactly one particle surrounding any test particle. This

Much theoretical and experimental research has been directed at

theory predicts that the velocity fluctuations scale like U 0 , inde-

determining the sedimentation velocity for monodisperse suspen-

pendent of the solid volume fraction , and that the correlation

sions, 关1兴. The most popular result is the simple formula of Rich-

length scales as a ⫺1 , in contrast to the experiments carried out

ardson and Zaki 关2兴: 具 U 典 ⫽U 0 (1⫺ ) n , where U 0 ⫽2⌬ a 2 g/9

by Segré, Herbolzheimer, and Chaikin 关19兴 and Guazzelli 关6兴 who

is the Stokes velocity for an isolated particle, a is the particle

radius, ⌬ denotes the difference between the density of the solid found velocity fluctuations of order U 0 1/3 and correlation length

particles and fluid, is the fluid viscosity, g is the acceleration of order 10a ⫺1/3. Recently, Brenner 关13兴 has examined through

due to gravity, and n⫽5.1 for spherical particles with low Rey- scaling and numerical simulations the effect of side walls on ar-

nolds numbers. On the theoretical side, the origin, significance, guments leading to the prediction of diverging velocity fluctua-

and interpretation of the convergence difficulties in calculating the tions with container size. The analysis has not definitively ex-

sedimentation velocity are well understood after the rigorous theo- plained the dependence of the velocity fluctuations on the size of

ries of Batchelor 关3,4兴 for predicting sedimentation velocities in the settling box, although it seems to predict a divergence weaker

monodisperse and polydisperse dilute suspensions of spheres at than Caflisch-Luke theory. Dynamical simulations of sedimenting

low Reynolds number. On the other hand the problem of velocity particles with point particles approximation or full hydrodynamic

fluctuations in sedimentation is still unresolved theoretically, interaction in periodic systems, and large-scale lattice-Boltzmann

关5,6兴. Theories, 关7–13兴, and numerical computations, 关14 –17兴, numerical simulations support the conclusion, finding an increase

with randomly positioned monodisperse particles find that fluctua- in the magnitude of the velocity fluctuations and hydrodynamic

tions diverge with increasing system size. Most experiments find diffusivity with the size of the numerical box, 关14 –17,20兴.

differently, 关18,19兴. Several experiments have also been carried out to investigate

The first theoretical work to investigate the convergence prob- fluctuations in sedimentation. Davis and Hassen 关21兴 examined

lem of the rms fluctuations in sedimentation was developed by the spreading of the interface at the top of a sedimenting, slightly

Caflisch and Luke 关7兴, who pointed out that Batchelor’s renormal- polydisperse suspension of non-Brownian particles. An investiga-

ization does not resolve the divergence associated with calculating tion of the simultaneous effects of self-sharpening and velocity

the variance of the sedimentation velocity. A physical scaling ar- fluctuations in a sedimenting suspension of noncolloidal particles

gument based on buoyancy-driven convection in sedimentation has been made by Lee et al. 关22兴. Ham and Homsy 关23兴 carried

was given by Hinch 关8兴. The scalings confirmed the predictions of out experiments to investigate the nature of the motion of a test

Caflisch and Luke. Koch 关10兴 has adapted Hinch’s scalings to particle sedimenting in the midst of a suspension of like particles.

Their experiments found that fluctuations in the sedimentation ve-

gas-solid suspensions and studied the behavior of fluctuations in a

locity over relatively short settling distances are large 共ranging

range of moderate particle Stokes numbers, 1ⰆStⰆ ⫺3/4. Sev-

from 25% to 46% of the mean兲 with dimensionless self-dispersion

eral theoretical approaches have attempted to explain the fluctua-

coefficients parallel to gravity increasing from approximately

2aU 0 at ⫽25% to 6aU 0 at ⫽5%, which is about a factor of

Contributed by the Fluids Engineering Division for publication in the JOURNAL

OF FLUIDS ENGINEERING. Manuscript received by the Fluids Engineering Division

5 smaller than the gradient diffusivity reported by Lee et al. 关22兴.

April 21, 2000; revised manuscript received April 30, 2002. Associate Editor: Using a multiple light scattering technique, Xue et al. 关24兴 mea-

L. A. Mondy. sured the effects of hydrodynamic interactions on the average

Journal of Fluids Engineering Copyright © 2002 by ASME DECEMBER 2002, Vol. 124 Õ 957

sedimentation velocity, its variance and the short-time self- 2 Scalings

diffusion coefficient in a concentrated hard-sphere colloidal sus-

One can begin to understand the scaling of the velocity fluctua-

pension. Important experiments in sedimentation were carried out

tions by considering a box of size l containing N particles distrib-

by Nicolai et al. 关25兴, who have also investigated velocity fluctua-

uted uniformly, with the number of particles related to the size of

tions in a monodisperse sedimenting suspension of spheres under

conditions of low Reynolds number. These experiments estimated the box and the volume fraction by N⫽l 3 / 34 a 3 . If the box is

velocity fluctuations between 75% and 170% of the mean, larger divided into two equal parts by a vertical plane, due to statistical

than those of Ham and Homsy 关23兴. In addition they observed a fluctuations one half of the box will typically contain N/2⫹ 冑N

strong anisotropy in the velocity fluctuations and self-diffusivities, particles, whereas the other half will contain N/2 ⫺ 冑N. This im-

D 储 /D⬜ ⬇5 at 5%, although substantially smaller than that found balance drives convection currents during the sedimentation pro-

by the theory of Koch 关14兴 and numerical simulations of Ladd cess. The extra weight on the heavy side is mg 冑N, with m

关15,16兴. The indices ⬜ and 储 denote quantities parallel and perpen- ⫽ 34 a 3 ⌬ . Balancing this fluctuation in weight with a Stokes

dicular to gravity. At moderate concentration, Nicolai and Guaz- drag 6 U ⬘ l on the velocity fluctuation, and using U 0

zelli 关18兴 found differently from the theories and computations ⫽2⌬ a 2 g/9 , we find the fluctuation in the velocities.

that particle velocity fluctuations and hydrodynamic self-

dispersion coefficients did not depend on the container dimension l

U ⬘ 2 ⬃U 20 (1)

as the inner width of the vessel varied by a factor of four. The a

experiments, 关18兴, unfortunately disagree with the theoretical pre-

With this velocity fluctuation we can estimate the hydrodynamic

dictions. This contrary result may be an indication that a well

self-diffusivity as D⬃U ⬘ l, corresponding to the particle velocity

mixed particle distribution cannot, in principle, remain unchanged

during sedimentation, and that information about the evolution of remaining correlated for a time c ⫽O(l/U ⬘ ). Thus

the microstructure in time is required to understand the behavior

of the velocity fluctuations. We argue that after the suspension

evolves the strong convection current observed in the initial stages

D⬃aU 0 1/2 冉冊

l

a

3/2

. (2)

of sedimentation will remove horizontal fluctuations in the num- This scaling argument helps to explain how velocity fluctuations

ber density leading to a saturation of velocity fluctuations. We and hydrodynamic self-diffusivity in a random dilute sedimenting

should also mention here the related phenomenon of shear- suspension depend on the size of the system.

induced hydrodynamic diffusion in sheared suspensions, 关26,27兴. In the simulations we shall be monitoring the horizontal varia-

The objective of this paper is to investigate by computer simu- tion of density which is responsible for the convection currents in

lation the average sedimentation velocity, the particle velocity sedimentation. This is the important origin of the large velocity

fluctuations, and particle-velocity correlations during sedimenta- fluctuations which has not been made clear by previous works

tion. We examine monodisperse and bidisperse suspensions with who have worried about Koch and Shaqfeh’s mass deficit theory,

randomly positioned particles for different volume fractions and 关9兴.

size of the container. In Section 2 we will present scaling argu-

ments for velocity fluctuations and dispersion in sedimentation.

The basic method is presented in Section 3 where we describe in 3 Statement of the Problem

detail both the calculation of the far-field interactions and short- Consider a suspension of N rigid and spherical particles inter-

range interactions for closing particles. In Section 4 the numerical acting hydrodynamically. The spheres differ in radius and density.

scheme for polydisperse suspensions will be explained. This com- The particulate dispersion is subject to a sedimentation process

putational scheme will then be tested in Section 5 by comparing through a Newtonian fluid of viscosity and density f with

results of sedimentation velocity for ordered and random suspen- low-Reynolds-number flow about each particle. The system occu-

sions with analytical predictions and Richardson-Zaki empirical pies a three-dimensional unit cell represented by a prismatic con-

correlation. Simulation results for monodisperse and bidisperse tainer with dimensions d⫻l⫻h. In order to simulate an infinite

sedimentation are presented. Conclusions will be stated in suspension, the unit cells comprise a periodic spatial structure like

Section 6. a Bravais lattice 共see Fig. 1兲.

Fig. 1 Representation of a typical lattice used in the simulations. The particles are

randomly distributed in a periodic cell with Ä0.03. „a… Side view; „b… three-

dimensional perspective view.

In the case in which the particulate phase consists of m species ⫽1/2V ⫺1/3 suggested by Beenakker 关28兴 as a good choice in the

of particles, one follows an usual notation and denotes, respec- case of a simple cubic lattice, where V denotes the volume of the

tively, the radius, density, number density, and volume fraction of unit cell.

each particle of species s by a s , s , n s , and s . The dimension- Now, consider an arbitrary pair of particles numbered by the

less polydispersity parameters concerned with species s will be indices ␣ and , pertaining to species s and p, respectively. The

denoted by aspect ratios s and reduced density ratios s as fol- velocity of a particle ␣ is given by

lows:

N

as

s⫽ , s⫽

s⫺ f

, 共 s⫽1,2, . . . ,m 兲 , (3)

␣

U ⫽M •F ⫹ ␣ ␣

兺 兺M

␥  ⫽1

( ps)

共 x␥ ⫺x␣ 兲 •F

a ⫺ f x␥ ⫽x␣

where a and correspond, respectively, to the characteristic ra- N

1

dius and density of the species adopted as the reference for non-

dimensionalization purposes. The other species are expressed in

⫹

V 兺 兺M

 ⫽1

(rs)

共 k 兲 •F cos关 k • 共 x ⫺x␣ 兲兴 , (8)

terms of the parameters and . Thus, the terminal settling ve- k ⫽0

locity of an isolated particle, the Stokes-Einstein diffusivity and where

冉 冊

the Péclet number of species s are, respectively,

40 ⫺1/2 3

0 ⫽ s s U0 ,

U(s) 2 ⫺1

0 ⫽ s D 0 ,

D (s) Pe(s) ⫽ s s2 Pe0 , 共s M␣ ⫽ 1⫺6 ⫺1/2⫺ I. (9)

3

⫽1, . . . ,m 兲 (4) M␣ defines the ␣th isolated particle mobility and I denotes the

where unit second rank tensor. The periodic two-sphere mobilities are

defined by the following expressions:

T

再冋

2 2 aU 0

U0 ⫽ a 共 ⫺ f 兲 g, D 0⫽ , Pe0 ⫽ , (5) 9

9 6a D0 M( ps) 共 r兲 ⫽ 3 3 r 2 ⫺ ⫹ 共 4 7 r 4 ⫺20 5 r 2 ⫹14 3

2

g is the gravitational force per unit mass, is the Boltzmann

constant and T is the absolute temperature. The length quantities

are made nondimensional using a as the characteristic length

scale. The Stokes hydrodynamic drag 6 aU 0 is taken as the

册

⫹ r ⫺2 兲 ⫺1/2exp共 ⫺ 2 r 2 兲 ⫹ 冉 3 ⫺1 1 ⫺3

4

r ⫹ r

2 冊

characteristic reference scale for force.

3.1 Lattice Sums. In view of the well-known convergence

⫻erfc共 r 兲 I⫹ 冎 再冋 3

⫺3 3 r 2 ⫹ ⫹ 共 ⫺4 7 r 4

2

册

problem inherent in the long-range nature of the hydrodynamic

interaction, one adopts a formulation based on the Beenakker’s ⫹16 5 r 2 ⫺2 3 ⫺3 r ⫺2 兲 ⫺ 1/2exp共 ⫺ 2 r 2 兲

Ewald-summed Rotne-Prager tensor, 关28 –30兴, under the assump-

tion that pairwise additivity of the hydrodynamic interaction is

plausible at dilute conditions. An extension of the formulation

proposed by Beenakker for hydrodynamic interactions in a hetero-

⫹ 冉 3 ⫺1 3 ⫺3

4 2 冊

r ⫺ r erfc共 r 兲 er er 冎 (10)

about the periodic array in space are presented next.

Let the center positions of the N spheres within a unit cell be

1

冉

M(rs) 共 k兲 ⫽ 1⫺ k 2

3 冊冉 1 1

1⫹ ⫺2 k 2 ⫹ ⫺4 k 4 6 k ⫺2

4 8 冊

denoted by the set of vectors CN ⫽(x1 , . . . ,xN ). Consider a peri-

odic lattice in which the set CN assumes the general form CN

⫽(x␥ 1 , . . . ,x␥ N )⫽(x1 ⫹x␥ , . . . ,xN ⫹x␥ ) where

1

冉

⫻exp ⫺ ⫺2 k 2 共 I⫺ek ek 兲 .

4 冊 (11)

x␥ ⫽ 共 ␥ 1 d, ␥ 2 l, ␥ 3 h 兲 , 共 ␥ 1 , ␥ 2 , ␥ 3 ⫽0,⫾1,⫾2, . . . 兲 (6) M( ps) is the mobility associated to lattice sum in real space, M(rs)

concerns with the sum in reciprocal space, r⫽ 兩 x␥ ⫺x␣ 兩 , er

defines the lattice points, obtained by a linear combination of the ⫽r/r, ek ⫽k/k, ⫽ 21 (1⫹a p /a s ) and erfc is the complementary

basic orthogonal vectors de1 ,le2 ,he3 , ␥ ⫽ 兵 ␥ 1 , ␥ 2 , ␥ 3 其 being the error function. The mobilities presented from the Eq. 共9兲 to 共11兲

set of integer coefficients, named the cell indices, and the set of provide two different levels of hydrodynamic interaction approxi-

vectors 兵 e1 ,e2 ,e3 其 being the canonical base of the Euclidian mation. The terms which include 2 provide a leading order cor-

space. rection due to the finite size of the particles.

The reciprocal lattice vectors k specifies lattice waves satisfy- Considering the system under the action of gravity and that the

ing the periodic boundary condition. Thus the function e ik •x␥ is particles are torque-free, the force F␣ acting on a particle ␣ of

periodic with respect to the basic vectors and assumes a unit value

species s is given by

for all ␥ 苸Z. The vectors k have the dimension of the inverse of

length and are written as F␣ ⫽⫺ s s3 e3 ⫹fl␣ ⫹f␣c . (12)

k ⫽2 冉 1 2 3

, ,

d l h

, 冊 共 1 , 2 , 3 ⫽0,⫾1,⫾2, . . . 兲 (7)

The term ⫺ s s3 e3

is the net weight of the particle ␣ and is an

artificial short-range repulsive force acting among pairs of par-

fl␣

ticles when they are close together and f␣c is a restoring force to

where ⫽ 兵 1 , 2 , 3 其 is the cell index of the reciprocal lattice.

prevent eventual overlaps. One discusses short-range interaction

The evaluation of the sedimentation velocity U␣ of a test par- next.

ticle 共numbered by the index ␣兲 considering the flow disturbances For a mobility problem the particle trajectories are obtained

induced by the neighboring ones involves the computation of two simply by integration of the kinematic equation

mobility matrices. The first matrix is relative to an isolated par-

ticle being represented by an isotropic tensor. The second one Dx␣

consists of a two-sphere mobility which considers the particle ⫽U␣ , x␣ 共 0 兲 ⫽x␣o . (13)

Dt

images periodically replicated. The last mobility includes terms

with respect to the lattice sums in real and reciprocal space, being 3.2 Short-Range Repulsive Forces. As mentioned above,

the sums convergence rate controlled by a positive parameter . the mobility tensors include only the far-field interactions which

One attributes to the convergence parameter a value cannot capture the lubrication forces arising from the squeezing

flow within the gap between two approaching spheres. As a con-

sequence, in a time evolution of disordered suspensions it is com-

mon the occurrence of numerical errors owing to occasional over-

laps between the spheres, even in dilute systems. Such a problem

is critical in regions of large solid volume fractions especially

when particles have settled at the bottom of the container.

In view of this a lubrication short-range force is modeled here

by employing an artificial repulsive force acting among pairs of

particles when they are close together, 关11兴. Introduction of this

extra repulsive force to prevent particles clusters is not unrealistic

because forces acting between particles in nature and in laboratory

practice are often repulsive. Furthermore, the pairwise addition of

near-field lubrication forces in Stokesian dynamics simulations of

Brady and Bossis 关31兴 requires time steps prohibitively small to

prevent overlaps.

The expression for this repulsive force is given by

冋

fl␣ ⫽C 1 p 3p exp ⫺

共 ⫺ ␣ 兲

pC 2 册

r̂, for 0⬍ 共 ⫺ ␣ 兲 ⬍ 0 (14)

Fig. 2 Time evolution of the dimensionless gap between two

where C 1 and C 2 are arbitrary numerical parameters which rep- unequal sedimenting spheres. The figure is for an aspect ratio

resent, respectively, the intensity and the range of the repulsive of l Õ s Ä1.75 with upstream impact parameter l . In the inset

force, ␣ ⫽( s ⫹ p )⫺ 兩 x ⫺x␣ 兩 is the virtual overlap, and 0 is are represented three steps of the time evolution, being „b… the

step of minimum interparticle gap.

the interparticle gap for which the force fl␣ is cut off. The param-

eters C 1 , C 2 , and 0 were determined by means of numerical

experiments with two unequal sedimenting spheres with an up-

stream impact parameter of a l ⫽ p a. Figure 2 presents the time

evolution of the gap between two closing unequal spherical par- a stokeslet located at x␣s ⫽(x,y,z). The complementary term

ticles. The accuracy of the numerical simulation was tested by u(x;xi␣ ) corresponds to the image system which consists of a

performing calculations for two interacting particles that have stokeslet equal in magnitude but opposite in sign located at the

been studied extensively in the past and for which analytical and image point xi␣ ⫽(x,y,⫺z), 关33兴.

simulation results are available for comparison, 关32兴. For a time Using such an image system with Ewald’s summation tech-

step 共1/100兲 Stokes time it is found a minimum gap around 1/10 nique in the version of Beenakker 关28兴 we arrive at the fundamen-

of the particle radius, when imposing the above short-range repul- tal solution for the Stokes flow induced by a lattice of stokeslets

sive force with the appropriate constants C 1 , C 2 , and 0 . Typical with side periodicity and impenetrable top and bottom. The gen-

values for these constants are: C 1 ⫽10, C 2 ⫽0.1, and 0 ⫽0.1. eral form for the velocity of a particle ␣ is given by

Although the lubrication forces have a divergent character N

兺 G共 x ⫺x

when the particles come close at the creeping flow regime, it is ␣ ␣ ␣

U ⫽M 共 兲 •F ⫹ , 兲 •F , (17)

considered in addition the restoring force f␣c due to eventual elas-  ⫽1

 ␣

displacement relation for interparticle contact in such a way that where G(x ⫺x␣ , ) is the Ewald summed mobility tensor, given

the normal elastic force is proportional to the virtual overlap of by

the particles, so that 1

f␣c ⫽⫺K e ␣ r̂, for ␣ ⬎0 (15)

G共 x ⫺x␣ 兲 ⫽ 兺 ␥

J( ps) 共 x␥ ⫺x␣ 兲 ⫹

V 兺

M(rs) 共 k 兲 ⌰

x␥ ⫽x␣ k ⫽0

where K e denotes the contact stiffness, assumed to be constant, (18)

whose value depends upon material and geometric properties of

being the kernel tensor J ( ps)

and the function ⌰ defined as

the colliding spheres. After several tests we found a typical value

for this constant equal to 100. Here, the repulsive forces may be J( ps)

⫽M ( ps) s

共 x␥ ⫺x␣ , 兲 ⫺M( ps) 共 x␥

i

⫺x␣ , 兲 , (19)

also employed to model particle-wall interactions in a system with

no flux boundaries parallel to gravity. ⌰⫽cos关 k • 共 xs ⫺x␣ 兲兴 ⫺cos关 k • 共 xi ⫺x␣ 兲兴 . (20)

( ps)

3.3 Impenetrable Boundaries. The image system is con- The term M is the periodic Green’s function in the physical

structed by considering a unit cell with dimensions d⫻l⫻2h, space presented in Section 3.1 and the vectors x␥ s

⫽(x,y,z)⫹x␥

being the real and reciprocal lattice vectors defined now as x␥ and x␥ ⫽(x,y,⫺z)⫹x␥ locate the source point and the image

i

where 兵 ␥ 1 , ␥ 2 , ␥ 3 其 and 兵 1 , 2 , 3 其 are sets of integer coefficients.

The procedure to obtain the flow solution within a no flux bound-

ary is essentially to consider a linear combination u(x)

4 Numerical Method

⫽u(x;x␣s )⫹u(x;x␣i ) satisfying the following boundary condi-

tions: Equations 共13兲 and 共17兲 will be applied to examine the dynam-

ics of N particles sedimenting and interacting hydrodynamically

u 共 x兲 , v共 x兲 ,w 共 x兲

冦

periodic in x and y directions within a container with a no flux boundary perpendicular to grav-

with period d and l, respectively ity direction and periodic boundary conditions in the horizontal

(16) direction. This type of formulation represents a mobility problem

u 共 x兲 , v共 x兲 periodic in z with period h with hydrodynamic interactions, calculated by using pairwise ad-

w 共 x兲 ⫽0 on z⫽0 and z⫽h, ditivity 共i.e., superposition of velocity in the mobility matrix兲. It

should be important to note that the moderate number of particles

where u, v and w denote the components of the fluid velocity. used in the present simulations makes the effect of periodicity

The term u(x;x␣s ) corresponds to the periodic flow solution due to dominate the sedimentation velocity at small particle volume frac-

tion, and the relatively low number of multipoles included 共i.e., Pe(s) Ⰶ1, which leads to isotropic particle motion. While the sys-

degenerate quadrupole only兲 reduces the accuracy at high . Im- tem evolves, the impenetrability condition was employed based

provements could be made on both fronts by including more mul- upon the excluded volume criterion given by Eq. 共21兲, in which ⑀

tipole on the one hand and more particles on the other. Either of is set to a value representative of the lubrication gap.

these approaches, however, increases dramatically the number of The evolution of the system from the initial distribution to sub-

degrees-of-freedom and results in prohibitive computation times, sequent nonoverlapping configurational states, in particular the

even avoiding the costly (N 3 ) inversion from hydrodynamic lu- motion of each particle, is subject to an energy criterion which

brication. The simulations here requires for the calculation of the prescribes: If the movement of a particle ␣ implies in a reduction

mobility interactions O(N 2 ) operations, which is still excessive at of the system energy, the new position vector x␣n⫹1 will integrate

moderate . into the set CN by substituting the element x␣ . Otherwise, one

4.1 Sampling Techniques. In this section, we describe a considers the energy increment ⌬E due to movement and takes a

procedure based on the method proposed by Metropolis et al. 关34兴 random number between 0 and 1. The position x␣n⫹1 will

to simulate the initial condition for either monodisperse and mul- be allowed only if ⬍exp(⫺⌬E). In the case in which

timodal size distributions of many interacting spherical particles. ⬎exp(⫺⌬E), the new position is forbidden and the prescriptions

The main aim of this method is to generate ergodic ensembles in outlined above are similarly followed for the next particle.

which each member consists of N mutually impenetrable spheres

whose centers are randomly distributed in a prismatic unit cell of 4.2 Computation of Hydrodynamic Interactions. To

volume V. compute hydrodynamic interactions among spherical multisized

Consider the rigid sphere system defined in Section 3. The mu- particles in a semi-dilute ( ⭐0.15) suspension, one presents a

tual impenetrability of the spheres imposes that the center of a test numerical procedure based upon the Ewald summation technique

sphere of radius a s cannot be located within an excluded volume for the Rotne-Prager mobility tensor, 关28兴. Although the Ewald

shell a p ⬍ 兩 r兩 ⬍a p ⫹a s of any other one of radius a p . In other sum technique overcomes the convergence problems intrinsic to

words, these systems are characterized by a pair potential which is the long-range nature of interparticle interactions, it demands

zero when the interparticle distance is greater than a p ⫹a s and great computational effort which decreases the suitability of the

infinite when 兩 r兩 ⭐a p ⫹a s . method for large systems. It is the purpose of the method pre-

In order to simulate a narrow fluid gap separating the spheres sented below to reduce the computational effort in order to permit

when they are in close proximity, a geometric parameter ⑀ is in- a study of some aspects of microstructural dynamics and an evalu-

corporated into the excluded volume. The amount of this gap is ation of transport properties based on meaningful statistics. Our

arbitrary but it is determined by considering the physical phenom- computational resource permits the simulation of monodisperse

enon to be simulated, such as sedimentation or shear flow. This and polydisperse suspensions characterized by N of O(103 ), N

parameter is also considered in order to calibrate numerically the

being the number of particles in a periodic cell.

minimum distance between spheres during the generation process.

The lattice sum computation, in each time step of the temporal

The value of ⑀ must be chosen with some care, since it magnifies

the exclusion-volume effects, and consequently exerts an impor- evolution, demands O(n pc N 2 ) computations, n pc being the num-

tant influence upon the randomness degree of the distributions. In ber of periodic cells in the lattice. A significant computational

terms of the aspect ratios and the mentioned geometric parameter, saving is achieved by tabulating a priori the periodic Green’s

the numerical excluded volume is written as functions 共10兲 and 共11兲 in order to avoid the computation of the

mobility tensor during the simulation. This scheme takes advan-

1 1 tage of an important feature of the two-sphere mobility, which is a

p ⫹ ⑀ ⬍ 兩 r兩 ⬍ p ⫹ s ⫹ ⑀ 共 p,s⫽1, . . . ,m 兲 . (21)

2 2 function of the relative separation only. Although the computa-

tional effort still scales with N 2 , the avoidance of lattice sum

The generation procedure for a given volume fraction

computations reduces drastically 共about 98%兲 the CPU time.

⫽(4/3) 兺 i⫽1

m

n i i3 begins by placing sequentially the required

However, the computational effort growing with N 2 imposes se-

number N of particles within the periodic domain under the non-

vere constraints on system size and consequently a number of

overlap condition. Increasing ⑀, the impenetrability condition im-

particles greater than few thousands is prohibitively large for dy-

poses more severe restrictions on available particle arrangements

and decreases the physically accessible space. namic simulations. A typical number of particles we simulated in

From the set CN ⫽(x1 , . . . ,xN ), which characterizes the static a unit cell is 300 for dynamic simulations with 10 realizations, and

initial configuration of the particles, one attributes to the system a 1000 for static simulations averaging over a hundred particle con-

potential energy, defined by figurations. Typically it takes 5–10 s CPU time for the simulation

of one time step (⌬t⫽0.01a/U 0 ) on a 933 MHz Dell work sta-

N N

tion. The maximum memory required for the largest problem and

E 共 CN 兲 ⫽ 兺 兺

␣ ⫽1  ⫽ ␣ ⫹1

V共 r ␣ 兲 , (22) the tabulation process is around 25–100 MB. Recently, Sireou and

Brady 关36兴 have described a method for calculating the hydrody-

where V(r ␣ ) is an arbitrary pair potential which falls off rapidly namic interactions among particles in suspension at small Rey-

with distance r ␣ ⫽ 兩 x ⫺x␣ 兩 , and gives a weight P(CN ) nolds number based on a Stokesian dynamics method with a re-

⫽exp(⫺E), which defines an ergodicity criterion. duced computational cost of O(N ln N). However, the work was

The system is subject to a temporal evolution simulated nu- limited to evaluation of macroscopic properties of static suspen-

merically as a random diffusive walk governed by the following sions 共not evolving in time兲. We should also mention here the

Brownian-diffusion equation existence of O(N) algorithms developed by Ladd 关37兴 and by Mo

and Sangani 关38兴. Ladd’s method is based on the lattice-

xn⫹1 ⫽xn ⫹Pe(s) ␦ t⫹ 冑6 s⫺1 ␦ t n (23) Boltzmann technique for finite Reynolds number of O(N), al-

where n is a random vector with each component having zero though he recognizes that there are several possible sources of

mean and unit variance and being generated independently of the error in his simulations. Sangani and Mo’s algorithm follows a

other components and independently of previous time steps. Nu- well-known approach by calculating the full resistance matrix

merically, this random vector is obtained by means of a standard through a fast multipole summation technique and inverting the

random number generator with enough independence between ad- resulting matrix iteratively. This method is in principle O(N),

jacent numbers, 关35兴. During the diffusion simulations the deter- although the iterative solution employed for these authors appears

ministic displacement Pe(s) ␦ t was neglected by the imposition of to perform poorly.

5 Numerical Results 5.2 Hindered Settling Function for Disordered Suspen-

sions. The calculation of the settling velocity averaged over sev-

We first test the accuracy of the method by comparing sedimen-

eral instantaneous random configurations of particles constitutes a

tation velocities given by the present simulation with some ana-

more realistic test than the above. In this section we validate the

lytical and experimental results available.

hindered settling function by means of comparisons with

Richardson-Zaki 关2兴 correlation,

5.1 Hindered Settling Function for Ordered Suspensions.

The first case we consider is a periodic arrangement of spheres f 共 兲 ⫽ 共 1⫺ 兲 n , (25)

sedimenting in a simple cubic lattice. For this case the theoretical

hindered settling function scales as O( 1/3) for point particle for which we assumed an exponent n⫽5.1, and with the low

force 共i.e., dilute limit兲, 关39兴. We verify our numerical scheme by asymptotic result of Batchelor 关4兴 for random and statistically

comparing calculated sedimentation rates with the asymptotic, homogeneous suspensions, given by

low-volume fraction solutions of Sangani and Acrivos 关40兴, given 具 U 储 典 /U 0 ⫽ f 共 兲 ⬃1⫺5 ⫹O 共 2 兲 . (26)

by

It is also made a comparison with the analytical expression of

f 共 兲 ⫽1⫺1.7601 1/3⫹ ⫺1.5593 2 ⫹3.9799 8/3⫺3.0734 10/3

Brady and Durlofsky 关41兴

冉 冊

⫹O 共 11/3兲 . (24)

具 U 储典 1 6 5⫺ ⫹1/2 2

Figure 3 shows the settling velocity for a simple cubic array of f 共 兲⫽ ⫽1⫹ ⫺ 2 ⫺ , (27)

U0 5 5 1⫹2

spherical particles as a function of 1/3. It can be seen that the

numerical results, obtained by considering the finite size of the derived by considering the Rotne-Prager approximation for the

particles, yield close agreement with the theoretical predictions Percus-Yevick hard-sphere radial distribution function, 关41兴.

given by Eq. 共24兲 in the semi-dilute particle volume fraction range The instantaneous mean of the velocities of the sedimenting

⭐0.20. It is also displayed the point-particle numerical results particles is

in order to illustrate the effect of the level of the hydrodynamic N

1

兺 U 共 t 兲.

approximation on the sedimentation velocity.

Ū共 t 兲 ⫽ i (28)

N i⫽1

mentation rate as a function of the particle volume fraction for a

random monodisperse suspension together with Eqs. 共25兲 to 共27兲.

Each point corresponds to the mean velocity over 100 indepen-

dent particle configurations at a given concentration. Good accu-

racy for the sedimentation velocity is obtained for the wide range

of particle volume fraction simulated (0⬍ ⬍0.20). At low vol-

ume fraction ( ⭐0.03), however, the numerical results underpre-

dict Batchelor’s theory being the agreement within statistical un-

certainty. The small degree of scatter suggests that some of the

initial random configurations accessible through our simulations

were not perfectly statistically homogeneous as assumed by

Batchelor’s analysis. Actually, the dilute limit is difficult to study

through simulation, as very small effects must be compared and

issues of system size, the effect of periodic boundary conditions

must be considered. In this limit the motion is in essence a super-

Fig. 3 Dimensionless settling velocity as a function of 1Õ3 for position of the sedimentation velocity of the dilute periodic array

a simple cubic arrangement of particles. The numerical results of images which scales like ( /N) 1/3, with that for the random

for point-particle approximation „䊊… and including the finite suspension which is O( ) for a low-volume fraction. Mo and

size of the particle „䊉… are shown in comparison with the low Sangani 关38兴 have calculated this difference in the velocity in-

asymptotic solution of and Sangani-Acrivos †40‡ „solid curve….

duced at the center of a test particle in a periodic suspension and

a random suspension. Experimental results do not seem also to

give Batchelor’s coefficient, generally giving a value less than

6.55. The hindering of the settling observed is due to a back flow

outside the particle, which occurs since we imposed the condition

of no mean flow, 具 u典 ⫽0. Our method can predict accurate veloc-

ity only for low to moderate volume fractions; for higher volume

fractions more moments are required to represent the particles

correctly. 共See Figs. 5 and 6.兲

We now present the calculated hindered settling velocities for a

bimodal size suspension of equidensity particles. At dilute condi-

tions the comparisons are made with the theoretical result of

Batchelor 关4兴 which states that the mean velocity of a particle of

species s in a suspension of m distinct species is given by

m

Fig. 4 Dimensionless settling velocity as a function of the 具 U (s)

储 典

solid volume fraction. Simulations results „䊉… are shown in

comparison with the low asymptotic result of Batchelor †3‡

f s共 兲 ⫽

U (s)

0

⬃1⫹ 兺S

p⫽1

sp 共 , 兲 p ⫹O 共

2

兲

„solid curve…, the Brady-Durlofsky †41‡ result „dashed curve…

and the Richardson-Zaki correlation †2‡ „dashed-dotted curve…. 共 s⫽1,2, . . . ,m 兲 (29)

Fig. 5 The settling velocity, nondimensionalized by U 0 , as a

function of the total solid volume fraction for a bimodal size

suspension. Simulation results for small „䊐… and large „䊉… spe-

cies are shown in comparison with the low asymptotic result

of Batchelor-Wen †43‡ „solid curve… and the Davis-Gecol corre-

lation †42‡ „dashed curve…. The simulations were performed

over 100 random and equally probable configurations. The sys-

tem is comprised of 1000 particles in a cubic periodic cell. The

results are for s Ä l Ä Õ2 and l Õ s Ä2.

suspension as a function of the system parameter 冑 l Õ a . The

simulations were performed over 100 random and equally prob-

able configurations. The system is comprised of 300 particles

in the unit cell with periodic sides and impenetrable boundaries

perpendicular to gravity. The dashed lines are the linear fit: „a…

冑Š U ⬘ ¸2 ‹Õ U 0 Ä0.79冑 l Õ a ; „b… 冑Š U ⬘ 2 ‹Õ U 0 Ä0.20冑 l Õ a .

over 100 random and independent configurations as a function

5.4 Fluctuations in Sedimentation. Several cases were

of the number of particles.

studied. The particle concentration was varied through the range

0⬍ ⬍0.10. Various different box sizes were studied, with l/a

ranging from around 25 to 350. The aspect ratio of the box was

kept constant at h/l⫽3.

where S sp values are sedimentation coefficients which depend The horizontal fluctuations in the density of the suspension are

upon the aspect ratio ⫽a p /a s and the reduced density ratio the origin of the large convection currents during the sedimenta-

⫽( p ⫺ f )/( s ⫺ f ). tion. We investigate the magnitude of these fluctuations by con-

As another basis for comparison one adopts the correlation pro- structing the Fourier amplitude for the lowest mode in the

posed by Davis and Gecol 关42兴, valid for a wider range of total

x-direction of the number density 具 n⬜2 典

particle volume fraction, given by the following expression:

冉 冊 兺e 2 i(x j ⫺x k )/l

具 U (s)

储 典

具 n⬜2 典 ⫽ , (31)

f s⫽

U0

⫽ s2 共 1⫺ 兲 ⫺S ss 1⫹ 兺

p⫽s

共 S s p ⫺S ss 兲 s (30) j,k

where the sedimentation coefficients S s p assume the appropriate of the particles.

values calculated by Batchelor and Wen 关43兴. We collect together in Fig. 6 the average of the horizontal den-

In Figure 7 it is shown the numerical results for the mean set- sity fluctuations, normalized by N, over the 100 realizations in

tling velocity as a function of the total particle volume fraction in each of the 12 different cases studied. Although the results are

comparison with those predicted by the Eqs. 共29兲 and 共30兲. For the plotted as a function of the number of particles used in the differ-

sedimentation coefficients it was assumed the numerical values ent cases, we see that the horizontal density fluctuations are es-

S 11⫽S 22⫽⫺5, S 12⫽⫺9.81, S 21⫽⫺4.29 provided by Batchelor sentially constant, equal to the standard ⫾ 冑N statistical fluctua-

and Wen 关43兴. The simulations were performed under the imposi- tion. The small degree of scatter around the unit we attribute to the

tion of equal volume fractions for both particle species. The nu- effect of the finite size of the box.

merical results were obtained by averaging over 100 random and We measure the fluctuations in the velocities with the instanta-

independent instantaneous configurations. We see that they are in neous variance

good general agreement with the correlation, 关43兴, thus validating N

1

the calculations of the average sedimentation by the present nu-

merical procedure.

具 U ⬘2共 t 兲 典 ⫽

N⫺1 兺 共 U 共 t 兲 ⫺Ū 共 t 兲兲 ,

i⫽1

i (32)

cal value of Koch and Shaqfeh 关9兴 gives a slightly higher value of

冑具 U ⬘ 典 ⫽2.2U 0 . The ratio in Fig. 7 of the vertical to horizontal

储

2

ropy. This is near to the experiment value of 2.5 found by Nicolai

et al. 关25兴 and Guazzelli 关6兴, and near to the ratio of 3.5 found by

theory and numerical simulations, 关14 –16兴.

We next present simulations results for a bidisperse suspension.

These simulations were performed for equal concentration of the

large and the small species ( s ⫽ l ⫽ /2) and for a diameter

ratio 2. Figures 8共a兲 and 8共b兲 display the results for vertical ve-

locity fluctuations for two species as a function of the system

parameter ( l/a) 1/2. It is seen that the hydrodynamic interactions

of small particles with larger ones produces an increasing in their

velocity fluctuations of about 30% compared to the results shown

in Fig. 7共a兲. It is apparent from these results that random bidis-

perse suspensions present a system size dependence at low-

volume fraction, just as shown above for the monodisperse case.

This leaves open the possibility that a dilute homogeneous poly-

disperse suspension could exhibit hydrodynamic screening.

5.5 Suspension Evolution. Microstructural change, that is

the variations in the relative arrangements of the particles, is an

important feature of a sedimentation process. The time evolution

of the system was analyzed over 10–20 realizations. The main

problem that we examine was to know how the initial configura-

tions of the particles evolve in time.

Typical evolutions for the cases of monodisperse and bimodal

suspensions simulated are displayed in Fig. 9. Figure 9共a兲 shows

one realization of the monodisperse case for a particle concentra-

tion ⫽5%, a box size of l/a⫽20 and an aspect ratio of the box

h/l⫽3; a simulation requiring 286 particles. The realization of the

Fig. 8 Dimensionless vertical velocity fluctuation for a bidis- bimodal suspension is shown in Fig. 9共b兲 for l/a⫽20, a total

perse suspension as a function of the system parameter 冑 l Õ a . concentration ⫽0.05 (N⫽185), s ⫽ l ⫽0.025, and aspect ra-

The simulations were performed over 100 random configura- tio l / s ⫽1.5 and h/l⫽3. We show at five different times 共from

tions. The system is comprised of 300 particles in the unit cell 0 to 60 a/U 0 兲 the positions of the particles projected onto the

with periodic sides and impenetrable box. The results are for vertical xz-plane. The first time in both cases is the initial con-

s Ä l Ä Õ2 and l Õ s Ä2. The dashed lines are the linear fit: figuration with the particle distributed randomly inside the box. As

„a… 冑Š U ⬘ ¸2 ‹Õ U 0 Ä1.400冑 l Õ a ; „b… 冑Š U ⬘

2

‹Õ U 0 Ä1.345冑 l Õ a . time progresses, a sediment accumulates on the lower impen-

locity, the variances of the horizontal components then being av-

2 2

eraged to give 具 U ⬘储 典 and 具 U⬜⬘ 典 .

In Figures 7共a兲 and 7共b兲 we examine the variation of the fluc-

tuations in the vertical and horizontal velocities. The system was

comprised of 300 particles in a unit cell with no flux boundary

perpendicular to gravity, but with side periodicity. The results for

the cases with different particle concentrations and box sizes

a/l are plotted against the expected scaling parameter ( l/a) 1/2.

We see that for low-volume fractions and small boxes both veloc-

ity fluctuations increase linearly with the square root of the box

size, with linear fits 冑具 U ⬘储 典 ⫽0.79U 0 ( l/a) 1/2 and 冑具 U⬜⬘ 典

2 2

⫽0.20U 0 ( l/a) 1/2. Thus in agreement with Caflisch and Luke 关7兴

and with the scaling argument presented here, we conclude that

when the particles are positioned randomly in a monodisperse

dilute suspension there are initially variances proportional to the

size of the box.

The saturation of the velocity fluctuations in Figs. 7共a兲 and 7共b兲

are obtained for a volume fraction around 0.19 and l/a 18.7. It is

seen that velocity fluctuations parallel to gravity reach the con-

stant value of 0.85U 0 for ( l/a) 1/2 around 1.5, whereas the ve-

locity fluctuations perpendicular to gravity reach the value 0.20U 0

for ( l/a) 1/2 around 0.8. The velocity fluctuation of the vertical

velocity is comparable to the mean sedimentation velocity. This is

in good general agreement with the experiments 关23兴 where the Fig. 9 Typical dynamic simulation of particle configuration at

fluctuations ranged between 25% and 50% of the mean in the different times during sedimentation: „a… monodisperse sedi-

dilute suspensions. Our results are also in good general agreement mentation for a Õ l Ä0.05, h Õ l Ä3, N Ä286; Ä0.05; „b… bimodal

with the experiments of Nicolai et al. 关25兴 and Guazzelli 关6兴 who sedimentation for Ä0.05 „ N Ä185…, s Ä l Ä0.025 and aspect

found a relative fluctuation around 80% at ⫽5%. The theoreti- ratio l Õ s Ä1.5; h Õ l Ä3.

ing the averages, we select the middle part of the suspension,

away from the sediment and the diffuse upper front.

Variations in number density can result from different boundary

conditions, such as when a finite height of suspension settles to-

ward an impenetrable plane boundary as considered in our simu-

lations. Figure 10 shows the time evolution of the horizontal den-

sity fluctuations, normalized by N, for two different combinations

of particle concentrations and box size. In each of the two differ-

ent cases studied, the horizontal density fluctuations are seen to

remain essentially constant up to t⫽20a/U 0 , approximately the

time to fall through the width of the box l or one third the time to

fall the height of the box h. We had expected that during such a

time the density fluctuations would drive a convection which

would turn the horizontal variations in density into vertical varia-

Fig. 10 Time evolution of the dimensionless horizontal den- tions, and so the large velocity fluctuations would decay. Our

sity number fluctuations at different conditions of the simu- dynamic simulations show, however, that the convection does not

lated system with the aspect ratio h Õ l Ä3. „䊐…: a Õ l Ä0.05; lead to a systematic decrease in the horizontal density fluctuations.

Ä0.03 „ N Ä172…, „䊉…: a Õ l Ä0.06; Ä0.02 „ N Ä66…. Further simulations, 关11兴, with a taller box, h/l⫽4 and h/l⫽5

found the same behavior. This result indicates that, even in the

case of considering no flux slip boundaries one would not expect

the probability density in the bulk of the suspension to be influ-

enced. Thus, the fluctuations seem to be always limited by the box

size in the dilute limit of a sedimenting suspension.

Corresponding to the lack of evolution of the density fluctua-

tions, vertical velocity fluctuations therefore remain proportional

to the size of the box, as in the parameter l/a, and do not evolve

to some value which is independent of the size of the box. The

computer simulations therefore remain at variance with experi-

mental observations of fluctuations independent of the size of the

box. A possible explanation to the discrepancy between experi-

ment and theory is that side walls in the experiments may induce

large inhomogeneities as the suspension evolves in time. Further-

more, the experiments are always affected by polydispersity at

low-volume fraction. Polydispersity could decrease the correlation

time for a particle allowing it to fall through the interaction vol-

ume faster than it can sample the same volume by hydrodynamic

dispersion. This effect would be important to decrease diffusivity

as observed in the experiments.

The velocities of the particles fluctuate randomly in time, ap-

parently with a magnitude which does not evolve during the sedi-

mentation. The persistence in time of the velocity fluctuations is

investigated using the auto-correlation function of the velocity

fluctuations, which correlates the velocity at time t with itself at

various time delays . This is constructed for the vertical and two

horizontal components. We shall report these auto-correlation

functions normalized by the variances, i.e.,

具 U ⬘ 共 t 兲 U ⬘ 共 t⫹ 兲 典

C 储共 t 兲⫽ (33)

具 U ⬘共 t 兲 U ⬘共 t 兲 典

and similarly for C⬜ (t). Here the angle brackets denote a sum

over all particles, and an average over all configurations or real-

Fig. 11 Normalized velocity fluctuation auto-correlation func-

izations 共i.e., an average over time in dynamic simulation兲.

tions parallel, C ¸ „䊐… and perpendicular, C „䉭… to the gravity

direction. „a… Computer simulations for h Õ l Ä3, a Õ l Ä0.05, N Figure 11 gives the auto-correlation function, nondimensional-

Ä114× Ä0.02; „b… Computer simulations for h Õ l Ä3, a Õ l ized by the variance 共correlation with zero time delay兲, for the

Ä0.05, N Ä172× Ä0.03. The error bars represent experimen- horizontal and vertical velocity, both for our computer simulations

tal data †25‡ with Ä0.05, h Õ l Ä4, h Õ d Ä10 and d Õ a É100. The in the case ⫽3%, a/l⫽0.05 and h/l⫽3 and for the experiments

dashed lines indicate the uncertainly range of the present com- of Nicolai et al. 关25兴 in the case ⫽5%, a/l⫽0.01, h/l⫽10, and

puter simulations. l/d⫽2.5. There is good general agreement in which the velocities

lose correlation over a time of O(10a/U 0 ) and the horizontal

velocity de-correlates slightly faster.

The random motion of the sedimenting particles can be charac-

etrable boundary. Note that the impenetrable boundary is slippery terized by a diffusion process with diffusivity calculated as the

and not a no-slip rigid boundary, so that particles can be seen integral over time of the velocity auto-correlation function

冕

moving along it. The descending upper interface between the sus-

⬁

pension and clear fluid above is diffuse and spreads slowly, so that

D⫽ 具 U ⬘ 共 t 兲 U ⬘ 共 t⫹ 兲 典 dt, (34)

the nearby concentration of particles decreases in time. 0

For each case studied, dynamic simulations were made for 10

to 20 realizations with different initial configurations. Below we constructed for the vertical D 储 and averaged over the two horizon-

give only averages over these realizations. Moreover in calculat- tal directions for D⬜ .

of a full periodic boundary condition in the vertical rather than our

no flux boundary perpendicular to gravity. Ladd 关16兴 reported

numerical results of fluctuations and hydrodynamic dispersion in

sedimentation for a large homogeneous suspension using 32768

particles ( ⫽10%) at finite Reynolds number (Re⫽0.45), based

on the width of the periodic cell. His results show an anisotropy in

velocity fluctuations about 3 that agree well with our numerical

results and experiments. However, the ratio of diffusivities equal

to 24 for h/l⫽4 are larger than the result here and about five

times the experimental measurements.

Finally, we consider the results for velocity fluctuation fields

across the whole box at ⫽0.03. The simulations show how the

random initial structure develops in time. Figure 14 displays typi-

cal velocity fluctuation fields taken during the dynamical simula-

tion at time t from 0 to 75a/U 0 . The starting time (t⫽0) corre-

Fig. 12 Dimensionless hydrodynamic self-diffusivities for h Õ l sponds to a random suspension generated as described in Section

Ä3, a Õ l Ä0.05, and Ä3%. The dashed lines are the error bars. 4.1. It is apparent that coherent large-scale structure that are order

of the size of the box forms 共convective currents of particles兲 and

persists at later times. This larger scale vortex structure indicates

that the velocity fluctuations depend on the system size.

From the above discussion it seems as though that simulations

with a finite height of suspension approaching a no-flux boundary

with periodic boundary conditions in the horizontal direction is

the key to better capture the anisotropic nature of the particle

interactions and also to understand the difference between theory

and experiments on dilute sedimenting suspensions. This problem

can be better explored through simulations considering a box with

no-slip boundaries in order to investigate the effect of the con-

tainer walls on the dynamic of fluctuations as particles sediment.

6 Conclusions

In this paper we report direct numerical simulations of mono-

disperse and polydisperse suspensions of spherical particles sedi-

Fig. 13 Vertical dimensionless hydrodynamic self-diffusivity

menting at low Reynolds number in a rectangular container with

as a function of the scaling 1Õ2„ l Õ a … 3Õ2. The dot line is the linear

side periodicity and impenetrable slip boundaries perpendicular to

fit D ¸ Ä0.19aU 0 1Õ2„ l Õ a … 3Õ2.

gravity. Our method is applicable for static 共not developing in

time兲 and dynamic simulations of suspensions at moderately vol-

ume fractions. The method of images was peculiarly adapted to

D⫽ez ez D 储 ⫹ 共 I⫺ez ez 兲 D⬜ (35) the solution of the problem of many interacting particles. The

results show the importance of including the effect of a no-flux

An important question is to examine whether this integral con- lower boundary for reducing the vertical-horizontal anisotropy of

verges at long times: if it does not, the diffusion process is anoma- particle diffusivities to realistic proportions.

lous. The ratio of the diffusivities to the velocity variance gives We have compared our results of sedimentation velocity for

the integral time-correlation D/ 具 U ⬘ 2 典 . ordered and random 共monodisperse and polydisperse兲 suspensions

Figure 12 shows the time integral increasing to its asymptotic with theory and experimental correlations and have generally

value on the correlation time of O(10a/U 0 ). For the case found good agreement for particle volume fraction ranging from 0

⫽3%, a/l⫽0.05 and h/l⫽3 we find a diffusivity in the direction to 0.20. It is seen that the sedimentation velocities do not agree

of gravity D 储 ⫽2aU 0 . This value should be compared with the particularly well in the very dilute limit due to the effect of peri-

experimental values of Ham and Homsy 关23兴 increasing from odicity of our numerical system. For higher volume fractions a

2aU 0 at ⫽2.5% to 6aU 0 at ⫽6%, and the experimental good agreement of our sedimentation with experiments would re-

value of Nicolai et al. 关25兴 around 5aU s . Hydrodynamic screen- quire higher-order many-body multipole moments.

ing theory gives D 储 ⫽0.52aU 0 / , i.e., the larger value 17aU s at The results also show the evolution of the positions of the par-

⫽3%, 关9兴. ticles in a finite box. Our numerical computations have found

Figure 13 shows our results for the self-diffusivity parallel to velocity fluctuations of monodisperse and polydisperse dilute sus-

gravity as a function of the scaling parameter 1/2(l/a) 3/2. The pensions increasing in a predictable way with the system size. It is

results for various particle concentrations and box sizes a/l can seen that a saturation of fluctuations occurs only at volume frac-

be approximated by the linear fit D 储 ⫽0.19aU 0 1/2(l/a) 3/2. While tions larger than 10%. This result agrees with the scaling argu-

the values of the diffusivity are comparable with those in labora- ments presented here, with theory and with large-scale lattice-

tory experiments, a direct comparison is not possible because our Boltzmann simulations of dilute suspensions. We conclude that

simulations depend on the size of the box and the laboratory ex- the sedimentation process observed in our simulations has been

periments do not. dominated by convection currents 共large structure motion兲 of the

The random fluctuations during sedimentation exhibit consider- size of the settling box, which is preserved in time. In contrast, the

able anisotropy. We find that D 储 /D⬜ ⬇10 in all our simulations. experiments have found that large vortex structures diminishes in

This value should be compared with a value around 5 in the ex- size at larger times.

periments of Nicolai et al. 关25兴, and a value around 25 in the The degree of anisotropy in velocity fluctuations and hydrody-

theory of Koch 关14兴. In fact, Koch’s theory shows that it is pos- namic self-diffusivities, both experimentally and in the present

sible to reduce a degree of anisotropy from 100 to around 25 by simulations are independent of the system size. Our simulation

increasing the aspect ratio of the box from h/l⫽1 to h/l⫽3. We results for normalized autocorrelation functions are also in good

speculate, however, that this still high value results from the use agreement with experiments at dilute limit.

Fig. 14 Time developing of three-dimensional velocity-fluctuation fields

across the numerical box „20Ã20Ã60… during the sedimentation process of

monodisperse particles at Ä0.05. The dimensionless time corresponds to

multiples of Stokes time a Õ U o . Large-scale motions „i.e., convective currents…

dominate the sedimentation process with large swirl depending on the nu-

merical box.

Since the experimental systems are never perfectly homoge- G ⫽ Ewald summed mobility tensor

neous and the actual particle distribution is unknown, the experi- g ⫽ gravitational force per unit mass

mental observations have not a definite answer for the physical h ⫽ box height

mechanism that renormalizes the rms fluctuations in a dilute sedi- I ⫽ unit second-rank tensor

menting suspension. Certainly new numerical simulations includ- J ⫽ kernel tensor

ing the effects of the container walls would be important and Ke ⫽ contact stiffness

challenging to explain the experimental observations. k ⫽ reciprocal lattice vector

We hope that our simulations have given some new insights l ⫽ box length

into the study of fluctuations and dispersion in sedimentation and M ⫽ mobility tensor

may help to stimulate new developments in the future. m ⫽ number of species

N ⫽ number of particles within the unit cell

Acknowledgments n ⫽ number density of particles

Pe ⫽ Péclet number

We acknowledge the support from CNPq-Brasil and Finep-

CTPETRO. We wish to thank Elizabeth Guazzelli 共LPMH/ESPCI, r ⫽ relative distance vector

Paris兲 for kindly providing the experimental data plotted in Fig. Re ⫽ Reynolds number

11. S(, ) ⫽ sedimentation coefficients

St ⫽ Stokes number

Nomenclature U0 ⫽ Stokes velocity

U⬘ ⫽ particle velocity fluctuation

a ⫽ particle radius u, v ,w ⫽ fluid velocity components

C ⫽ velocity autocorrelation function V ⫽ cell volume

C1 , C2 ⫽ numerical parameters 共see Eq. 共14兲兲 x ⫽ position vector

D ⫽ hydrodynamic self-diffusivity x␥ ⫽ physical lattice vector

D0 ⫽ Stokes-Einstein diffusivity x,y,z ⫽ space coordinates

d ⫽ box width

F ⫽ force acting on the particles Greek Symbols

fl␣ ⫽ artificial lubrication force acting on a particle ␣ ␥ ⫽ cell index of the physical lattice

f␣c ⫽ artificial contact force acting on a particle ␣ ⌬E ⫽ energy variation

f () ⫽ hindered settling function ⌬ ⫽ particle-fluid density difference

␦ t ⫽ time step 关16兴 Ladd, A. J. C., 1997, ‘‘Sedimentation of Homogeneous Suspensions of Non-

⑀ ⫽ geometric parameter 共see Eq. 共21兲兲 Brownian Spheres,’’ Phys. Fluids, 9共3兲, pp. 491– 499.

关17兴 Cunha, F. R., Rosa, O. S., and Sousa, A. J., 2001, ‘‘Do We Understand Hy-

n ⫽ random vector drodynamic Dispersion in Sedimenting Suspensions?’’ J. Braz. Soc. Mech.

0 ⫽ interparticle gap for which the force fl␣ is cut off Sci., 23共4兲, pp. 379–399.

␣ ⫽ virtual overlap between particles ␣ and  关18兴 Nicolai, H., and Guazzelli, E., 1995, ‘‘Effect of the Vessel Size on the Hydro-

⫽ cell index of the reciprocal lattice dynamic Diffusion of Sedimenting Spheres,’’ Phys. Fluids, 7共1兲, pp. 3–5.

关19兴 Ségre, P. N., Herbolzeimer, E., and Chaikin, P. M., 1997, ‘‘Long-Range Cor-

⫽ reduced density ratio relations in Sedimentation,’’ Phys. Rev. Lett., 79共13兲, pp. 2574 –2577.

⫽ Boltzmann constant 关20兴 Kalthoff, W., Schwarzer, S., Ristow, G. et al., 1996, ‘‘On the Application of a

⫽ aspect ratio Novel Algorithm to Hydrodynamic Diffusion and Velocity Fluctuations in

⫽ fluid viscosity Sedimenting Systems,’’ Int. J. Mod. Phys. C, 7共4兲, pp. 543–561.

关21兴 Davis, R. H., and Hassen, M. A., 1988, ‘‘Spreading of the Interface at the Top

⫽ convergence parameter of a Slightly Polydisperse Sedimenting Suspension,’’ J. Fluid Mech., 196, pp.

⫽ particle density 107–134.

f ⫽ fluid density 关22兴 Lee, S., Jang, J., Choi, C., and Lee, T., 1992, ‘‘Combined Effect of Sedimen-

c ⫽ correlation time tation Velocity Fluctuation and Self-Sharpening on Interface Broadening,’’

⫽ solid volume fraction Phys. Fluids, 4共12兲, p. 2601–2606.

关23兴 Ham, J. M., and Homsy, G. M., 1988, ‘‘Hindered Settling and Hydrodynamic

Superscripts Dispersion in Quiescent Sedimenting Suspensions,’’ Int. J. Multiphase Flow,

14共5兲, pp. 533–546.

␣,  ⫽ particle index 关24兴 Xue, J.-Z., Herboltzheimer, E., Rutgers, M. A., Russel, W. B., and Chaikin, P.

(ps) ⫽ physical space M., 1992, ‘‘Diffusion, Dispersion, and Settling of Hard Spheres,’’ Phys. Rev.

(rs) ⫽ reciprocal space Lett., 69共11兲, pp. 1715–1718.

(s), (p) ⫽ given species 关25兴 Nicolai, H., Herzhaft, B., Hinch, E. J., Oger, L., and Guazzelli, E., 1995,

‘‘Particle Velocity Fluctuations and Hydrodynamic Self-Diffusion of Sedi-

Subscripts menting Non-Brownian Spheres,’’ Phys. Fluids, 7共1兲, pp. 12–23.

关26兴 Cunha, F. R., and Hinch, E. J., 1996, ‘‘Shear-Induced Dispersion in a Dilute

储 ⫽ parallel to gravity Suspension of Rough Spheres,’’ J. Fluid Mech., 309, pp. 211–223.

⬜ ⫽ perpendicular to gravity 关27兴 Leighton, D. T., and Acrivos, A., 1987, ‘‘The Shear-Induced Migration of

s ⫽ small species Particles in Concentrated Suspensions,’’ J. Fluid Mech., 181, pp. 415– 439.

关28兴 Beenakker, C. W. J., 1986, ‘‘Ewald Sum of the Rotne-Prager Tensor,’’ J. Chem.

s, p ⫽ given species

Phys., 85共3兲, pp. 1581–1582.

l ⫽ large species 关29兴 Nijboer, B. R. A., and De Wette, F. W., 1957, ‘‘On the Calculation of Lattice

Sums,’’ Physica, 23, pp. 309–321.

References 关30兴 Rotne, J., and Prager, S., 1969, ‘‘Variational Treatment of Hydrodynamic In-

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