cui force calculation
TRANSCRIPT
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Martin-Luther-UniversittHalle-Wittenberg
Force calculation when particle nearcontact using lattice Boltzmann method
M.Sc. Yan Cui
Prof. Martin Sommerfeld
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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 appliedthough inhalation.
The drugs are in form of fine liquiddroplets or solid particles(powders).
The size of the particles needs to berather smallin order to ensure thatthey are transported up to the alveoliof the lung.
One solution: coating of larger carrierparticles with the fine agent particles.
Adhesion forcebetween large andsmall particles can be adjusted bysurface treatment.
Using LBMfor analyze the detachmentof 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 particlesin 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 levelsolving 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( txftxfttxftttvxf iiiii
Collision termPropagation 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
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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 contactless than one grid spacing, the codeitself will recognize two particles as
one particle. Because there are notenough fluid nodes surround oneach particle.
One solution: not only accumulatingthe fluid nodes near particle surface,
but also accumulates those solidnodes near another particle surface.
Defect: those solid nodes do nothave any fluid property, during theaccumulation, those nodes will
become a vacuum which may causetremendous force.
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Separate scheme
A modified approach: we give thosesolid nodes near another particlesurface the equivalent equilibrium
equations, and set the velocityconstant(equal to the particlevelocity).
After that, the very large forcedisappeared, we can get a more
reasonable force for each particle.
Is it enough?
Solid nodes near another particle surface
Fluid nodes near particle surfaceFluid nodes
Solid nodes
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Surfaces near contact
N.-Q. Nguyen and A. J. C. Ladd in 2002 [1] find that whentwo particle surfaces come within one grid spacing, fluidnodes are excluded from regions between the solid surfaces,
leading to a loss of mass conservation.
=
= 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 nolonger closed. In this case 0and mass conservation isno longer ensured.
If the two particles move as a rigid body, mass conservationis 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-Boltzmannsimulations 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 analternative idea is to ensure that there is always at least onefluid node in the gap between the particle surfaces.
E-Jiang Ding and Cyrus K.Aidun in 2003 [3] introduce a cutback method for dealing with particle near contact. They turnthe blue nodes (solid nodes) into fluid nodes, so the shape ofparticle 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 directsimulation 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 yellowline
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Numerical-numerical validation
Robyn Larsen, Dmitry Eskin, Jos Derksen, Liftand drag onagglomerates attached to walls,ICMF 2010.
In the first part of this paper, they study the lift and dragforce acting on the particle attached to the wall, with theshear flow and the immersed boundary condition in LBM.
We use the variable-distance-bounce-back boundarycondition, so its a good validation between these twonumerical methods.
Immersed boundary LBM:
Treat the boundary as deformable with high stiffness.
Small distortion yield a force to restore the boundary intooriginal 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.
PE
R
I
O
D
I
C
Moving Wall
Non-Slip
PE
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 aboundary layer has been considered experimentally.
Hall and Mollinger and Nieuwstadt measured lift force on asmall stationary particle in contact with the wall. In all casesconsidered the particle was sufficiently small to be entirely inthe viscous sublayer of the turbulent boundary layer. Owingto 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:
+ =
+ =
, is the shear velocity
Initial condition:
Two-level-grid-refinement
20 cells along the particle diameter
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i l i i lid i
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Simulation-Experiment validation
The lift coefficients obtained by Hall and Mollinger areconsiderably 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 turbulentboundary layer. Nevertheless the orders of magnitude higherlift force measured in their experiments cannot be explainedby the present simulations.
Experiments of Muthanna in a linear shear flow are more
relevant to the present simulations. Their lift coefficients areconsiderably smaller than those measured in a turbulentboundary layer, but they are still larger than the computedlift coefficient. As pointed out by these authors, accuratemeasurement of lift force on small particles in wall-bounded
flows is a challenging problem.
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G id l ti
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Grid resolution
Change the grid resolution on the agent particles => 6 gridspacing along the diameter
G id l ti
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Grid resolution
Change the domain length x => 60 grid spacing
G id l ti
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Grid resolution
Change the domain length y/z => 50 grid spacing
G id l ti
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Grid resolution
Pa amete st d
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Parameter study
Force vector (plug flow)
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Force vector (plug flow)
Plug flow
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Plug flow
Plug flow
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Plug flow
Plug flow
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Plug flow
Plug flow
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Plug flow
Plug flow
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Plug flow
Plug flow
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Comparing different Re:
Plug flow
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.
Plug flow
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Comparing different coverage rate:
Plug flow
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 flowdisturbance 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.
Force vector (shear flow)
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Force vector (shear flow)
Shear flow
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Shear flow
Shear flow in 3D and its projection on
Feffect-x and Feffect-z:
Shear flow
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Shear flow
Shear flow in Feffect-x projection:
Shear flow
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Shear flow
Comparing plug flow and shear flow in
Feffect-x projection(same Re):
Shear flow
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Shear flow
Shear flow in Feffect-z projection:
Shear flow
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Shear flow
Comparing different Re with shear flow in
Feffect-z projection:
Shear flow
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Shear flow
Comparing different Re of Shear flow 3D:
Particle rotation
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Particle rotation
1
2 3
4
8 5
7 6
1
2 3
4
Particle rotation
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Comparing different Re under
Rotation_Plug flow:
1
2 3
4
Particle rotation
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1
2 3
4
8 5
7 6
Rotation_Shear flow:
Particle rotation
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1
2 3
4
8 5
7 6
Comparing Rotation_Plug flow and
Rotation_Shear flow:
What will do next?
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Form of multi-layer agent particles
Problem: the form of agglomerate using the tree structure. Soevery particle has only one father. However, in multi-layer,
the particle from second layer may have 2 or 3 contact to thefirst layer particles, which means it has 2 or 3 fathers. This isnot allowed during modeling.
Turbulent effect
Theoretically in LBM, the velocity should be
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Thanks for attention!