Simulating Particle Forces in DPI Powders including Particle Friction and Rotation
ABCD
Introduction
The use of simulation tools like computational fluid dynamics
(CFD) for the development of Dry Powder Inhalers (DPI) is
rapidly growing. But next to the air flow the powder particle
behaviour also needs to be simulated to predict the physics of
agglomeration and de-agglomeration inside the DPI and the
transition from a powder pile to a fully dispersed aerosol,
which is inhalable. The aim of this contribution is to describe a
simulation model for the interactions of particles with each
other as well as with the inhaler walls and the air flow. This
new simulation model was developed over the past years and
next to effects like soft sphere collisions (spring-damper-
model), coulomb forces, van der Waals forces, slipstream and
surface friction forces (static, dynamic) it is now extended to
include particle rotation and rolling friction. Individual particles
are tracked for their position, velocity and rotation in a discrete
element model (DEM) manner and are coupled to the fluid
flow to ensure a real two way coupling. All particle
agglomerates are detected by their number and size.
Methods
The simulations were carried out with the commercial CFD
solver Fluent (Fluent 14, Ansys Inc., USA) in which the simple
Discrete Phase Model (DPM) for individual particles was
extended for high particle densities and the physics of particle
particle interactions in a discrete element model (DEM)
manner by implementing user defined functions (UDF). In
addition to the previous version now particle rotation and
rolling friction were added. The experiments necessary to
determine the correct particle properties for the various
friction coefficients in the simulation were carried out prior to
simulation.
Figure 1 left: static friction coefficient, angle of repose in resting powder pile
Figure 1 right: rolling friction coefficient, powder slope with different angles
Ralf Kröger1, Michael Becker2, Herbert Wachtel2
1ANSYS Germany GmbH, Birkenweg 14a, 64295 Darmstadt, Germany
2Boehringer Ingelheim Pharma GmbH & Co. KG, Binger Str. 173, 55216 Ingelheim, Germany
Model Description of course lies in the gathering of the right friction coefficients In a rotating drum experiment, shown in figures 4, 5 & 6, the In a liftoff experiment (2) of a glass powder pile in a free air
for each powder. Three different experiments (one for each resulting slope of the avalanche in the drum compared well flow, shown in figure 4, detached agglomerates could be
As described earlier (1) the previous DEM model already friction coefficient) were designed, which are shown in figures with the simulation. Here DEM effects are more important than detected and compared to simulations with strong particle-
contains the physics of 1 and 2. Friction coefficients for a glass powder (diameters the particle-fluid coupling. The simulation was done without fluid coupling.
• particle/fluid interaction: Coupling to the flow, where particle from 0.7 to 57 microns) were measured (figure 2 and 3). solving the air flow.
agglomerates are described as porous media for the flow
• particle/fluid interaction in the vicinity of particles: Slipstream
effects Results
Typical friction coefficients are presented in Table 1. Rotation
• particle/particle collision: Soft sphere approach
• adhesive particle/particle interactions: Coulomb and van-der-
Waals forces Material µ (stick) µ (slide) µ (roll) [m]
• particle/particle friction: static and dynamic friction Avalanche
Now the model is extended to include particle rotation and the Glass 0.52 0.01 0.45 0.005 5.6*10-6 1*10-6
corresponding rolling friction. This engineering approach
Ceramics 0.56 0.01 0.47 0.001 1.2*10-5 5*10-6
calculates the magnitudes of the different friction forces and
torques from the individual normal forces and the Lactose 1.50 0.06 0.82 0.003 -
corresponding static or dynamic or rolling friction coefficient, (5µm)
depending on the contact condition between the particle Table 1: friction coefficients for some powders. Mind batch to batch variability, cf. Fig. 2,3 Figure 5: simulation slim drum Figure 6: principle of drum experiment
surfaces, which can be sticking, sliding or rolling. The difficulty
Conclusion
measured The existing DEM model with coupled fluid flow has been
static and
dynamic
extended to include particle rotation and rolling friction. First
friction calculations using this coupled model compare well with
coefficient reality for glass particles. Simulation parameters clearly
depend on the powder formulation, so it is necessary to
measure these parameters for different powder formulations.
The measurements of the required parameters are ongoing.
relative velocity [m/s]
Figure 3: model for static and dynamic friction coefficient
0
scale
440µm
References
time steps 200µs
1. Becker, M., Wachtel, H., Kröger, R., Tropea, C. (2010),
”Discrete Particle-Particle Simulations of Medical Aerosols:
Cohesion and Adhesion are Not the Whole Story“,
Dalby, R.N., Byron, P.R., Peart, J., Farr, S.J., Suman, J.D. and
Young, P. (eds), Respiratory Drug Delivery 2010, 435-438.
2. Becker, M., Wachtel, H., Tropea, C. (2011),
“Numerical and experimental study of Dry Powder Aerosols”,
Journal of Aerosol Medicine and Pulmonary Drug Delivery,
Vol. 24, Nr. 3, S. 45.
Figure 2 left: dynamic friction coefficient, shear cell for powders Figure 4 left: drum experiment and simulation
Figure 2 right: glass powder properties, size distribution from automated microscopy
Contact: ralf.kroeger@ansys.com
Figure 4 middle: lift-off experiment and simulation showing both agglomerates and single particles in lift-off
measurements, corresponding friction coefficients from measurements of one example. Figure 4 right: lift-off experiment showing agglomeration of two particles and single particle lift-off