Cui Force Calculation

Martin-Luther-Universitt
Halle-Wittenberg
Force calculation when particle near
contact using lattice Boltzmann method
M.Sc. Yan Cui
Prof. Martin Sommerfeld
Halle-Wittenberg
Outline
Project description
Lattice Boltzmann Method
Particle near contact
Force calculation
Separate scheme
Cut-back method
Lubrication force
Validations
Numerical-Numerical
Numerical-Experiment
Simulation of my project
Grid resolution
Plug flow
Shear flow
Particle rotation under plug & shear flow
What will do next?
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Introduction to dry powder inhalator
Nowadays different drugs are applied
though inhalation.
The drugs are in form of fine liquid
droplets or solid particles(powders).
The size of the particles needs to be
rather small in order to ensure that
they are transported up to the alveoli
of the lung.
One solution: coating of larger carrier
particles with the fine agent particles.
Adhesion force between large and
small particles can be adjusted by
surface treatment.
Using LBM for analyze the detachment
of the agent particles.
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Sketch map of detachment

dispersion
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Objectives of the simulations

Application of a high resolution Lattice-
Boltzmann-Method with multi-level grid
refinement
Determination of the fluid dynamic forces acting
on small agent particles (~ 5 m) attached to the
surface of a larger carrier particle (~ 100 m)
Identification of the detachment of agent particles
in dependence of adhesion forces, flow conditions and
location on the surface
Different flow conditions for fixed carrier particle:
laminar and turbulent plug flow and shear flow
Homogeneous isotropic turbulence
Determination of the maximum adhesion force
to guaranty agent particle detachment
Flow conditions
similar to those
expected in an
inhaler
Results used for defined
surface modification
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Lattice Boltzmann Method
The Lattice-Boltzmann-Method simulates the motion of a fluid on a microscopic level
solving the discretised distribution function f(x, v, t), describing the number of fluid
elements at a given location and time having the velocity v.
macroscopic flow system
Discretised Lattice-Boltzmann-Equation (single relaxation time, BGK):

( ) ) , ( ) , ( ) , ( ) , (
) 0 (
t x f t x f
t
t x f t t t v x f
i i i i i o o o o o
t

A
= A + A +
Collision term Propagation term
0
2
2
2
2
2
2
2
2
2
2
1
1
1
1
1
Discrete velocity directions in the D3Q19-model
Bounce-back boundary
condition for curved walls
Momentum exchange yields
forces on the particle
equilibrium Maxwell distribution
) t , x ( f
) 0 (
i o
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Particle force calculation
Particle force = Force(fluid nodes near particle surface)
Solid nodes
Fluid nodes
Fluid nodes near particle surface
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Separate scheme
When two particles are near contact
less than one grid spacing, the code
itself will recognize two particles as
one particle. Because there are not
enough fluid nodes surround on
each particle.
One solution: not only accumulating
the fluid nodes near particle surface,
but also accumulates those solid
nodes near another particle surface.
Defect: those solid nodes do not
have any fluid property, during the
accumulation, those nodes will
become a vacuum which may cause
tremendous force.
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Separate scheme
A modified approach: we give those
solid nodes near another particle
surface the equivalent equilibrium
equations, and set the velocity
constant(equal to the particle
velocity).
After that, the very large force
disappeared, we can get a more
reasonable force for each particle.
Is it enough?
Solid nodes near another particle surface
Fluid nodes near particle surface
Fluid nodes
Solid nodes
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Surfaces near contact
N.-Q. Nguyen and A. J. C. Ladd in 2002 [1] find that when
two particle surfaces come within one grid spacing, fluid
nodes are excluded from regions between the solid surfaces,
leading to a loss of mass conservation.
=
2
3

= 0
Although the sums

and

are zero for any
closed surface, when two particles are close to contact some
of the boundary nodes are missing and the surfaces are no
longer closed. In this case 0 and mass conservation is
no longer ensured.
If the two particles move as a rigid body, mass conservation
is restored. But for soft matter systems, the leak of mass
conservation should be taken into consideration.
Solution: Enforce mass conservation, particle-by-particle, by
redistributing the excess mass among the boundary nodes.
[1] N.-Q. Nguyen and A. J. C. Ladd, Lubrication corrections for lattice-Boltzmann
simulations of particle suspensions, Physical Review, E 66, 046708 (2002).
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Cut-back-method
Later Burkhard Dnweg and A. J. C. Ladd [2] write that an
alternative idea is to ensure that there is always at least one
fluid node in the gap between the particle surfaces.
E-Jiang Ding and Cyrus K.Aidun in 2003 [3] introduce a cut
back method for dealing with particle near contact. They turn
the blue nodes (solid nodes) into fluid nodes, so the shape of
particle is maintained by the red line.

[2] B. Dnweg and A. J. C. Ladd, Lattice Boltzmann simulations of soft matter systems,
Advances in Polymer Science, 221:89-166 (2009).
[3] E-Jiang Ding and Cyrus K. Aidum, Extension of the lattice-Boltzmann method for direct
simulation of suspended particles near contact, J.S.P, Vol. 112, Nos. 314 (2003).

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Modified cut-back-method
An modified approach is:
Cut only one particle, retain the full geometry of the other one.
For the cut-particle, we use an extrapolation bounce back
boundary condition to give back some part of the geometry.
Firstly, turn those blue nodes into fluid nodes.
Secondly, measure the distance between the green nodes
and the original surface, set it as q (0 1 grid spacing).
Thirdly, travel to the reversed direction, and only travel 1-q
grid spacing, so now the geometry should be on the yellow
line

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Lubrication force
A. J. C. Ladd in 1994 [4] [5] found that when two particles
are in near contact, if there is relative motion between the
solid particles, lubrication force effect should take into
consideration. The lubrication force will be active if there two
grid spacing in the gap. The lubrication force (acting along
the centerline of two particles i and j) is given by
=
3

Where =
2 is the dimensionless gap width (R is the

distance between the centers of the particles) and
and
are the coordinates of the particles and
and
are the particle velocities.

[4] A. J. C. Ladd, Numerical simulations of particulate suspensions via a discretized
Boltzmann equation Part 2. Numerical results, Journal of Fluid Mechanics, 271:311 (1994).
[5] P. Poesio, G. Ooms, A. T. Cate and J. C. R. Hunt, Interaction and collisions between
particles in a linear shear flow near a wall at low Reynolds number, Journal of Fluid
Mechanics, 113-130 (2006).
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Lubrication force
As the near field hydrodynamic force plays a critical role in
our simulation, we used an improved version for the
lubrication force given by Kim & Karilla (1991) [6], in which
a logarithmic correction is included
=
3
+
27
20
log
1

[6] S. Kim and S. J. Karrila, Microhydrodynamics: principles and selected applications,
ISBN 0486442195 (1991).
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Numerical-numerical validation
Robyn Larsen, Dmitry Eskin, Jos Derksen, Lift and drag on
agglomerates attached to walls, ICMF 2010.
In the first part of this paper, they study the lift and drag
force acting on the particle attached to the wall, with the
shear flow and the immersed boundary condition in LBM.
We use the variable-distance-bounce-back boundary
condition, so its a good validation between these two
numerical methods.
Immersed boundary LBM:
Treat the boundary as deformable with high stiffness.
Small distortion yield a force to restore the boundary into
original shape.
The body force term is used to mimic the presence of boundary.
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Problem definition
Variable to get: dimensionless lift and drag force.
Changed variable: domain size, length, width and
height(comparable to the diameter of particle).
Fixed Re number: 0.012.
Analytical solution of Leighton & Acrivos: L*=9.22, F*=32.1.

P
E
R
I
O
D
I
C
Moving Wall
Non-Slip
P
E
R
I
O
D
I
C
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Results
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Numerical-Experiment validation
Stationary particle in a wall-bounded linear shear flow.
The problem of lift force on a particle sitting on the wall in a
boundary layer has been considered experimentally.
Hall and Mollinger and Nieuwstadt measured lift force on a
small stationary particle in contact with the wall. In all cases
considered the particle was sufficiently small to be entirely in
the viscous sublayer of the turbulent boundary layer. Owing
to turbulence, the lift force was fluctuating in time and they
obtained time-averaged lift coefficient
for varying particle size.
Later Muthanna obtained lift force on
a stationary spherical particle attached
to a wall in a laminar linear shear flow.
The present results for the stationary
particle touching the wall in a linear
shear flow can be compared with these experimental results.

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Simulation-Experiment validation
In the beginning, I introduce non-dimensional lift force,
+
,
and particle radius,
+
, as follows:

+
=
2

+
=
is the shear velocity

Initial condition:
Two-level-grid-refinement
20 cells along the particle diameter
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Simulation-Experiment validation
The lift coefficients obtained by Hall and Mollinger are
considerably higher than those obtained in our simulation.
It should be noted that the measurements of Hall and
Mollinger are for a particle sitting on a wall in a turbulent
boundary layer. Nevertheless the orders of magnitude higher
lift force measured in their experiments cannot be explained
by the present simulations.
Experiments of Muthanna in a linear shear flow are more
relevant to the present simulations. Their lift coefficients are
considerably smaller than those measured in a turbulent
boundary layer, but they are still larger than the computed
lift coefficient. As pointed out by these authors, accurate
measurement of lift force on small particles in wall-bounded
flows is a challenging problem.
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Grid resolution
Plug flow simulation: change the domain length, width,
height and the grid resolution along the agent particles
diameter to find the best value for simulation.
For the shear flow: the height will be twice of the height in
plug flow. Because the boundary condition has changed from
symmetric to non-slip boundary type.

O
U
T
L
E
T
Moving Wall
Non-Slip
I
N
L
E
T

O
U
T
L
E
T
Symmetric
Symmetric

I
N
L
E
T
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Grid resolution
Change the grid resolution on the agent particles => 6 grid
spacing along the diameter
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Grid resolution
Change the domain length x => 60 grid spacing
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Grid resolution
Change the domain length y/z => 50 grid spacing
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Grid resolution

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Parameter study

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Force vector (plug flow)
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Plug flow

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Plug flow
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Plug flow
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Plug flow
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Plug flow

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Comparing different Re:
Plug flow
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Comparing different size of agent particles:
Plug flow
Diameter_of_Agent_Particle => Feffect. Because 1 N
= 1 kgm/s^2, the force is relate to the mass of particles.
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Comparing different coverage rate:
Plug flow
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Comparing different coverage rate:
Plug flow
Coverage_Rate => Band_of_Feffect. This is because of the
gap between agent particles. If the gap is too large, the flow
disturbance between particles will increase; if the gap is tiny, the
flow will mostly influence on the top of agent particles, but less
impact in the gap, because there are less space for the flow.
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Force vector (shear flow)
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Shear flow
Shear flow in 3D and its projection on
Feffect-x and Feffect-z:
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Shear flow
Shear flow in Feffect-x projection:

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Shear flow
Comparing plug flow and shear flow in
Feffect-x projection(same Re):
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Shear flow
Shear flow in Feffect-z projection:

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Shear flow
Comparing different Re with shear flow in
Feffect-z projection:
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Shear flow
Comparing different Re of Shear flow 3D:
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Particle rotation

1
2 3
4
8
5
7 6

1
2 3
4
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Particle rotation
Comparing different Re under
Rotation_Plug flow:

1
2 3
4
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1
2 3
4
8 5
7 6
Particle rotation
Rotation_Shear flow:
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1
2 3
4
8 5
7 6
Particle rotation
Comparing Rotation_Plug flow and
Rotation_Shear flow:
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What will do next?
Form of multi-layer agent particles
Problem: the form of agglomerate using the tree structure. So
every particle has only one father. However, in multi-layer,
the particle from second layer may have 2 or 3 contact to the
first layer particles, which means it has 2 or 3 fathers. This is
not allowed during modeling.
Turbulent effect
Theoretically in LBM, the velocity should be <= 0.2 Mach. New
method for calculating the turbulent flow are under developing.
Halle-Wittenberg
Thanks for attention!

Cui Force Calculation

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2 is the dimensionless gap width (R is the

are the coordinates of the particles and

are the particle velocities.

is the shear velocity

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