Validation of The ORCA CFD Software For Three Stirred Tank Configurations
Validation of The ORCA CFD Software For Three Stirred Tank Configurations
K.J. Bittorf*
Dantec Dynamics Inc., 777 Corporate Drive, Mahwah NJ, 07430
*Corresponding Author: e-mail [email protected]
Stirred tanks are widely used in chemical processing indu This document is comprised of five sections. The first two
tries for blending, liquid-liquid dispersion, gas-liquid disper- sections review the ORCA computational program and
sion, suspension formation, heat transfer, mass transfer and experimental techniques used to validate the results attained
chemical reactions. Efficient mixing is crucial to the out- from the ORCA CFD code. The last three sections provide
comes of all of these processes. For these applications, poor a comprehensive review of the validation studies completed.
mixing can have serious consequences such as excessive by-
product formation, inconsistent product quality in blended The location of dead zones or zones of unmixedness for
products, wide particle size distributions in crystallization three variations of stirred tank reactor systems are numeri-
processes, and slow mass transfer rates in bioreactors. cally modeled and experimentally validated for a stirred tank
operated in the laminar regime. This study reveals corre-
As tighter government regulations in the pharmaceutical sponding quantitative velocity fields, as well as correspon-
industry and lower margins on chemical products increase ding areas of unmixedness through Poincaré sections, in
the importance of optimizing these processes for quality both results. The comparison demonstrates sound qualita-
assurance and product enhancement, use of Computational tive and quantitative agreement between the experimental
Fluid Dynamics (CFD) in design and optimization becomes data and the CFD results.
more prevalent. CFD provides quick results for optimizing
and identifying deficiencies in processes, critically impor-
tant functions for product consistency in pharmaceutical I. ORCA CFD Software
industries which work with FDA testing and extremely tight
regulatory standards. Product incompliance stemming from ORCA uses Galerkin Least-Squares finite element technolo-
inconsistent product can be avoided if the process is either gy, a novel approach to computer aided modeling and opti-
experimentally or computationally characterized. While mizing mixing processes. Computer aided mixing, model-
experimentation can be costly and time consuming com- ing, and analysis involves Lagrangian and Eulerian analysis
pared to characterizing a system computationally, experi- for relative fluid stretching, and energy dissipation concepts
mentation is necessary to validate CFD results before they for laminar and turbulent flows. High quality, conservative,
can be used for design and optimization processes. accurate, fluid velocity, and continuity solutions are required
for determining mixing quality.
This review examines three cases of CFD validation for the
ORCA CFD package These cases, variations of processes The ORCA CFD package, based on a finite element formu-
that are used in the pharmaceutical and chemical process lation, solves the incompressible Reynolds Averaged
industries, are based on a batch reactor with various types of Navier-Stokes (RANS) equations. Though finite element
mixers: three Rushton Turbines in series, Pitched Bladed technology has been well used in areas of heat transfer, solid
Turbine (PBT), and the Ekato Intermig Impeller. The exper- mechanics, and aerodynamics for years, it has been applied
imentation for these systems was completed using Particle only recently to the area of fluid mixing. While most com-
Image Velocimetry (PIV) and Planar Laser Induced mercial technologies solve the resultant Partial Differential
Florescence (PLIF) techniques. Equations (PDEs) as discretized approximate solutions using
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finite volume or finite difference techniques, ORCA uses the tion at many points simultaneously along a planar section of
Galerkin Least-Squares (GLS) finite element technology. the flow. Division of displacement vector information by
The GLS finite element formulation presented provides time yields instantaneous velocity vector maps (2-D or 3-D
another formulation for numerically solving RANS based using stereoscopic imaging).
fluid mechanics equations.
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A soluble, pH-sensitive indicator that appears blue in basic Bulk flow patterns from PIV and CFD
media and yellow in acidic media is added to each of the flu-
ids. When the mixture components come into contact during The figures in this section present comparisons between the
the mixing process, the neutralization reaction instanta- velocity field from CFD and PIV results for four flow con-
neously proceeds at the interface and a color change occurs. ditions: Re=20, 40, 80 and 160. Velocity vectors in the left
In poorly-mixing regions, or islands, the fluid appears blue half of each figure are based on CFD solutions for the flow
for long periods, as the acidic component is not sufficient for fields. All of the vectors are shown with the same length,
complete neutralization. Furthermore, the reaction rate is and the color-coding is based on the planar velocity magni-
limited in islands by the slow rate of diffusive transport tude normalized with respect to the tip speed of the impeller.
mechanisms. The vectors in the right half of each figure correspond to PIV
results for the same cross-sectional plane.
III. Flow Field Validation of a Stirred Tank Mixed
with 3 Rushton Impellers In Figure 3a, both the computational and experimental
results indicate that six recirculation loops exist, with one
Using ORCA CFD technology, the flow field was modeled located above and one located below each impeller. For this
in a stirred tank equipped with three Rushton impellers case, the maximum velocity magnitude in this vertical plane
(Figure 2) and the computational results compared with is only 20% of the tip speed of the impeller, indicating that
experimental measurements of the velocity field. the flows associated with recirculation regions are relatively
weak. The computational and experimental locations of the
centers of these recirculation regions coincide almost per-
fectly.
Figure 3b, which shows results for the second case where the
impeller speed is set to Re=40, reveals flow patterns sub-
stantially different from those presented in Figure 3a. Here,
the planar velocity magnitudes reach 32% of the impeller tip
speed. Again, velocity directions and magnitudes agree
between the CFD and PIV results.
turbines. bine
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Observations concerning the maximum percentage of the
impeller tip speed that is attained by the planar velocity mag-
Velocity Magnitude nitudes reveal that, at lower tip speeds, the flow within the
0.32 RPM
recirculation regions is relatively weak and the dominant
flow is azimuthal.
Figure 3b.
Bulk flow pattern at Re=40. Left half is from CFD, right
half is from PIV. (from Alvarez, 2000 and Zalc, 2000) Quantitative Comparison of Velocity profiles from PIV and
CFD
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associated with the middle impeller becomes more domi-
Normalized radial and vertical components of the velocity
nant. In addition, the normalized vertical velocities become
increasingly dominant because the fluid that is ejected out-
ward radially by the middle impeller must recirculate
through the impeller regions.
Figure 4. Since particles located near the shaft tend to be ejected radi-
A comparison of experimental and computational val- ally outward by the impellers, tracer particles are placed in
ues for the radial and vertical velocity components. that region initially to capture the mixing behavior in the
The results are for Re=20 impeller speed in (a) and
impeller region. The specific initial condition for calculating
Re=40 in (b). The thick line indicates the CFD data for
the trajectories of tracer particles is a vertical line just out-
the radial component of the velocity and the thin line is
side the shaft that extends the entire height of the tank. The
the vertical component of the velocity in each figure. line consists of 30,000 equally spaced passive tracer parti-
The corresponding experimental data is plotted as cir- cles. Their trajectories are computed for 60 revolutions and
cles and squares, respectively. (from Alvarez, 2000 and position and residence time is recorded every time a particle
Zalc, 2000)
crosses a plane fixed to one of the impeller blades. Since the
flow is periodic, plotting all of the intersections that occur up
to a particular time on a single figure reveals the temporal
evolution of mixing structures.
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(a) (b) density of points. Particle trajectories are computed for 600
rotations and the position is recorded every time a particle
crosses the intersection surface. Once all the positions for
every impeller revolution are superimposed, segregated
regions are indicated as concentric rings on the plot. In these
regions (called "islands"), material exchange with the outer
region of the tank occurs by slow diffusive transport. Well-
mixing areas, where the flow is chaotic, appear as a random
cloud of points, devoid of large-scale structure. The general
notion that chaos means randomness is partially due to the
traditional use of this method to examine the flow structure.
(a) (b)
Figure 6.
The structures of segregated regions in the stirred tank
are revealed by the calculation of Poincaré sections.
Results are shown for Re=20 in (a) and Re=40 in (b).
Also, the top half of (a) and the bottom half of (b) repre-
sent the corresponding PLIF experimental results.
(from Alvarez, 2000 and Zalc, 2000)
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no details within the islands of regular flow can be seen as
the Rhodamine was initially injected into the chaotic region
and can only enter the islands by diffusion after long periods.
8mm
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In the computations in Figure 9b, one tracer particle is is fitted with a concentric shaft and four Ekato Intermig®
placed inside each segregated area and their trajectories are impellers. These complex impellers, commonly used in
computed for several thousand impeller revolutions. Note pairs, are each rotated 90o on the shaft. Figure 11 shows the
that the simulated massless tracers do not leave the toroidal surface mesh of the tank and the four impellers considered in
regions, even after thousands of impeller revolutions, but this analysis, which are placed at equal distances along the
remain trapped in those zones as in the experiments. shaft. The unstructured volumetric mesh of the mixing tank
necessary to obtain the required solution quality was approx-
More detailed illustrations of the upper segregated region in imately 6 million elements. The velocity and pressure field
the tank are shown in Figure 10. A cross-section of the was obtained by iteration until convergence beyond 0.0001
doughnut-shaped torus is enlarged in the plane of one of the was achieved.
impeller blades to refine the details of the structure. The
computational result appears on the left side of Figure 10a,
whereas the experimentally resolved structure appears on the
right Figure 10b. The experimental picture was obtained by
using small, neutrally buoyant seeding particles that follow
the fluid motion. A laser sheet is passed through the tank
that is made of Plexiglas and a picture is taken with a digital
camera. A chain of small islets, each less than 1 mm across,
surrounds the large segregated region..
(a) (b)
Figure 11
(a) Surface mesh of a tank equipped with 2 pairs of
Ekato Intermig? impellers.(b) Geometry of a single
Intermig impeller.
VII. FlowField Validation for a Stirred Tank Mixed The impellers create strong vertical flow, and the areas of
with 4 Ekato Intermig® Impellers highest magnitude form a complex S-shapd region between
impellers as demonstrated by experimental and simulated
Computations of the Velocity Field flow patterns between impeller 1 (closest to the bottom of
the vessel) and impeller 2. Again, a recirculation loop forms
The Ekato Intermig® vessel geometry commonly used fer- below the impeller, and the computational and experimental
mentation applications is modeled here by the ORCA CFD locations coincide exactly.
technology. A tank with a height to diameter ratio close to 3
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in a vessel equipped with Ekato Intermig impellers. This
PIV
complex impeller design is often used in fermentation
processes for oxygen distribution. Because the viscosity of
many fermentation broths changes during processing, a mix-
ing operation that started under highly turbulent conditions
frequently ends up in the laminar regime at completion.
VIII. Conclusions
References
CFD
Zalc, J.M. "Simulation of Flow and Mixing in a Three-
Impeller Rushton Stirred Tank and an SMX Static Mixer",
2000, Ph.D. Dissertation, Rutgers, The State University of
New Jersey, New Brunswick, New Jersey.
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