Tutorial: Modeling Bubble Breakup and Coalescence in a

Bubble Column Reactor

Introduction
The purpose of this tutorial is to provide guidelines for solving the ow break-up, and
coalescence of gas bubbles in a gas-liquid bubble column reactor using a population balance
approach coupled with the Eulerian multiphase model. The population balance approach
is used to solve for bubble ow and size distribution in an axisymmetric bubble column for
a population of six dierent bubble sizes.
This tutorial demonstrates how to do the following:
Set up a two-phase, unsteady bubble column problem for an air-water bubble column
using the Eulerian multiphase model.
Enable and set up a population balance model with six bubble sizes.
Solve the case using appropriate solver settings and solution monitors.
Postprocess the resulting data for bubble size distribution.
Prerequisites
This tutorial is written with the assumption that you have completed Tutorial 1 from
ANSYS FLUENT 13.0 Tutorial Guide, and that you are familiar with the ANSYS FLUENT
navigation pane and menu structure. Some steps in the setup and solution procedure will
not be shown explicitly.
This tutorial assumes that you are familiar with the use of the Eulerian multiphase mixture
model. This tutorial does not cover the mechanics of using this model, but focuses on
setting up the population balance problem for bubble size distribution and solving it. For
details on Eulerian multiphase model, refer to Section 26.5, Setting Up the Eulerian Model
in ANSYS FLUENT 13.0 Users Guide.
The population balance module is provided as an add-on module with the standard ANSYS
FLUENT licensed software. A special license is required to use the population balance
module. For a comprehensive overview of the ANSYS FLUENT population balance model
and its application in solving multiphase ows involving a secondary phase with a size
distribution, refer to ANSYS FLUENT 13.0 Population Balance Model Manual.
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Modeling Bubble Breakup and Coalescence in a Bubble Column Reactor
Problem Description
Figure 1 shows the schematic representation of the air-water bubble column of diameter of
0.29 m and height of 2 m. Air is injected into the water column through an inlet at the
bottom, which has a diameter of 0.23 m, with a constant velocity of 0.02 m/s. The initial
diameter of the injected air bubbles is 3 mm. Model this column as a 2D, axisymmetric
column.
Figure 1: Problem Schematic
Strategy
The injection of air causes the development of a turbulent ow pattern in the liquid column,
which transports the bubbles throughout the column. Due to the eects of turbulence and
collisions between individual bubbles, the bubbles breakup and coalesce with each other.
As a result, bubbles with a range of sizes are formed in the bubble column. The size
distribution of the bubbles, plays a critical role in any mass transfer and reactions that
may occur between the air and the liquid, as in a Fischer-Tropsch synthesis process. Hence
resolving the bubble size distribution is an important task in the CFD analysis of bubble
column reactors. This can be accomplished using the population balance model in ANSYS
FLUENT.
1. In this tutorial, you will set up the two phase ow problem using the Eulerian mixture
multiphase model.
(a) Enable the population balance model using the TUI commands.
(b) Use the specialized dialog box for this model to dene the size distribution prob-
lem.
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(c) Select the discrete method with six size bins to represent the the bubble size
distribution.
(d) Set the volume ratio to 4 with a minimum size of 0.001911 m or 1.911 mm. The
six size bins correspond to the bubble diameters 0.012, 0.00756, 0.004762, 0.003,
0.00189, and 0.001191 metres respectively.
(e) Choose the size bins such that the inlet bubble size of 3 mm, i.e. 0.003 m, lies
in the middle of the bin sizes.
(f) Enable the aggregation and breakage kernels and choose the Luo model.
(g) Set up and solve the ow and population balance problem in transient mode
until an equilibrium solution is reached.
(h) Finally, use the postprocessing capabilities to analyze the ow and resulting size
distribution.
2. Use the population balance model for solving multiphase ow problems where the
secondary phase has a size distribution such as droplets, bubbles or crystals, which
evolves and changes with the ow due to phenomena like nucleation, growth, aggre-
gation or coalescence, and breakage.
The population balance model uses a balance equation, similar to the mass, energy and
momentum balance, to track the changes in the size distribution. The size distribution
can be determined using one of the four approaches:
The discrete method.
The inhomogenous discrete method.
The standard method of moments.
The quadrature method of moments.
3. Use the discrete method to compute the bubble size distribution. Here, the range of
particle sizes in the particle size distribution is divided into a nite number of intervals
or discrete bin.
The bubble sizes chosen for the bins have to be in geometric progression with the
ratio of bubble volumes of adjacent size bins, or volume ratio, set to an integer
power of 2. Thus the bubble diameters are in geometric progression with a size
ratio which is the cube root of an integer power of 2.
A transport equation is solved for each bin with a corresponding scalar, which
represents the volume fraction of gas in that bin. Thus, the sum of the scalars
for all the discrete bins is equal to the gas phase volume fraction.
Source terms in the transport equation account for the birth and death of bubbles
in each size bin, when they enter or leave the bin due to breakup and coalescence.
These terms are computed using specic models or kernels which are published in
the scientic literature. In this tutorial, you will use the breakup and coalescence
kernels for bubble columns developed by Luo et.al. [1]
After solving the transport equations for the scalars, calculate the value of the
number density function for each size bin. This is the volume fraction of each
bin i.e. the scalar value, divided by the volume of a single bubble, yielding the
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Modeling Bubble Breakup and Coalescence in a Bubble Column Reactor
number of bubbles per unit volume or number density. The values of the number
density function for all size bins give the bubble size distribution.
The transport equations from the population balance model and the momentum
equations are coupled due to user-dened drag based on Sauter mean diameter
computed from the obtained size distribution. Both the number density function
and the Sauter diameter are available in ANSYS FLUENT for postprocessing.
Specialized postprocessing functions for the population balance model have been
added to ANSYS FLUENT.
4. Report and plot volume and surface averages of the size distribution. You will also
compute the statistical moments of the size distribution, which represent aggregate
quantities such as the total number of bubbles or the total bubble surface area per
unit volume.
For details about the population balance model and its application to bubble column
reactors, refer to [1] and [2].
Setup and Solution
Preparation
1. Copy the mesh le (bubcol new2.msh.gz) to your working folder.
2. Use FLUENT Launcher to start the 2D double precision 2ddp version of ANSYS FLU-
ENT.
For more information about FLUENT Launcher see Section 1.1.2, Starting
ANSYS FLUENT Using FLUENT Launcher in ANSYS FLUENT 13.0 Users Guide.
The Display Options are enabled by default. Therefore, after you read in the mesh, it
will be displayed in the embedded graphics window.
Step 1: Mesh
1. Read the mesh le (bubcol new2.msh).
File Read Mesh...
As the mesh le is read, ANSYS FLUENT will report the progress in the console.
Step 2: General Settings
1. Dene the solver settings.
General
(a) Select Transient from the Time list.
(b) Select Axisymmetric from the 2D Space list.
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2. Check the mesh.
General Check
3. Rotate the mesh display.
Display Views...
(a) Select axis from the Mirror Planes list to enable the symmetry.
(b) Click Camera... to open the Camera Parameters dialog box.
i. Drag the indicator of the dial with the left mouse button in the counter-
clockwise direction until the upright view is displayed (see Figure 2).
Figure 2: Mesh Display
ii. Click Apply and close the Camera Parameters dialog box.
(c) Click Apply and close the Views dialog box.
4. Close the Mesh Display dialog box.
Step 3: Models
1. Enable Eulerian multiphase model.
Models Multiphase Edit...
(a) Select Eulerian from the Model list.
(b) Click OK to close the Multiphase Model dialog box.
2. Enable turbulence model.
Models Viscous Edit...
(a) Select standard k-epsilon from the Model list.
(b) Click OK to close the Viscous Model dialog box.
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Step 4: Materials
1. Copy a new material from the materials database.
Materials Create/Edit...
(a) Click FLUENT Database... to open the FLUENT Database Materials dialog box.
i. Select water-liquid (h2o<l>) from the FLUENT Fluid Material list.
ii. Click Copy and close the FLUENT Database Materials dialog box.
(b) Click Change/Create and close the Create/Edit Materials dialog box.
Step 5: Phases
1. Dene the primary phase (water-liquid).
Phases phase-1-Primary Phase Edit...
(a) Enter water-liquid for Name.
(b) Select water-liquid from the Phase Material drop-down list.
(c) Click OK to close the Primary Phase dialog box.
2. Similarly, dene the secondary phase (air).
Step 6: Operating Conditions
1. Specify the following operating conditions
Boundary Conditions Operating Conditions...
(a) Enable Gravity and set the Gravitational Acceleration to a value of -9.81 m/s
2
in
the X direction.
(b) Enable Specied Operating Density and retain a value of 1.225 kg/m
3
for Oper-
ating Density.
(c) Click OK to close the Operating Conditions dialog box.
Step 7: Population Balance Model Setup
1. Enable the population balance model.
(a) Enter the TUI command, define models addon-module, in the console.
(b) Enter 5 for the module number to enable the Population Balance model.
The GUI now changes and an item is added to the Models menu.
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2. Set the parameters for the population balance model.
Models Population Balance Edit...
(a) Ensure that Discrete is selected from the Method list.
(b) Ensure that Geometric Ratio is selected from the Denition list.
(c) Ensure that air is selected from the Phase drop-down list.
(d) Enter 6 for Bins, 2 for Ratio Exponent, and 0.001191 m for Min in the Bins group
box.
(e) Click Print Bins to print the discrete bubble sizes for each bin.
(f) Enable Aggregation Kernel and Breakage Kernel from the Phenomena group box.
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(g) Select luo-model from the Aggregation Kernel and Frequency drop-down lists.
Leave the surface tension requested by the model as default.
(h) Click OK to close the Population Balance Model dialog box.
In the Secondary Phase dialog box, the Diameter property changes to sauter-mean
i.e. the Population Balance model is automatically set to calculate the Diameter
for the mean bubble size.
Step 8: Boundary Conditions
1. Set boundary conditions for inlet.
Boundary Conditions vinlet
(a) Select air from the Phase drop-down list and click Edit....
i. Click the Momentum tab.
A. Select Magnitude, Normal to Boundary from the Velocity Specication
Method drop-down list.
B. Enter 0.02 m/s for the Velocity Magnitude.
ii. Click the Multiphase tab.
A. Enter 1 for the Volume Fraction.
B. Ensure that Specied Value is selected from the Boundary Condition drop-
down lists for all the Population Balance variables.
C. Enter 1 for Bin-3-fraction and retain the default value of 0 for the other
variables in the Boundary Value group box.
D. Click OK to close the Velocity Inlet dialog box.
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(b) Select mixture from the Phase drop-down list and click Edit....
i. Click the Momentum tab and select Intensity and Hydraulic Diameter from
the Specication Method drop-down list.
ii. Enter 5 % for Turbulent Intensity and 0.145 m for Hydraulic Diameter.
iii. Click OK to close the Velocity Inlet dialog box.
2. Set the boundary conditions for the outlet.
Boundary Conditions outlet
(a) Select air from the Phase drop-down list and click Edit....
i. Click the Multiphase tab and enter 1 for Backow Volume Fraction.
ii. Set the value of Bin-3-fraction to 1 and retain 0 for the other variables in the
Boundary Value group box.
iii. Click OK to close the Pressure Outlet dialog box.
(b) Select mixture from the Phase drop-down list and click Edit....
i. Select Intensity and Hydraulic Diameter from the Specication Method drop-
down list.
ii. Enter 5 % for Backow Turbulent Intensity and 0.145 m for Backow Hydraulic
Diameter.
iii. Click OK to close the Pressure Outlet dialog box.
Step 9: Solution
1. Set the solution method parameters.
Solution Methods
(a) Ensure that Phase Coupled SIMPLE is selected from Scheme drop-down list in
Pressure-Velocity Coupling group box.
(b) Retain the default settings for the Spatial Discretization parameters.
2. Retain the default values for Under-Relaxation Factors.
Solution Controls
3. Initialize the solution.
Solution Initialization
(a) Enter 0.1 (m
2
/s
2
) for Turbulent Kinetic Energy and 0.25 (m
2
/s
3
) for Turbulent
Dissipation Rate in the Initial Values group box.
(b) Enter 1 for air Bin-3-fraction.
(c) Click Initialize.
4. Mark the region for adaption.
Adapt Region...
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(a) Retain selection of Inside from the Options list and Quad from the Shapes list.
(b) Enter the values for the coordinates as shown in the following table:
Parameter Value
X Min 1.8
X Max 2.0
Y Min 0
Y Max 0.145
(c) Click Mark to select the region for adaption.
(d) Close the Region Adaption dialog box.
5. Patch the selected regions.
Solution Initialization Patch...
(a) Select air from the Phase drop-down list.
(b) Select Bin-3-fraction from the Variable list and enter 1 for Value.
(c) Select hexahedron-r0 for Registers to Patch.
(d) Click Patch.
(e) Select Volume Fraction from the Variable list and set Value to 1.
(f) Click Patch and close the Patch dialog box.
6. Set surface point.
Surface Point...
(a) Enter x0 (m) = 1.5 and y0 (m) = 0.
(b) Keep New Surface Name as point-5 and click Create.
7. Create a surface monitor for Bin-0-fraction.
Monitors (Surface Monitors) Create...
(a) Enable Plot and Write.
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(b) Enter surf-mon-1.out for the File Name.
(c) Select Time Step from the X Axis drop-down list.
(d) Select Time Step from the Every drop-down list.
(e) Select Vertex Average from the Report Type drop-down list.
(f) Select Population Balance Variables... and Bin-0-fraction from the Field Variable
drop-down list.
(g) Select air from the Phase drop-down list.
(h) Select point-5 from the Surfaces list.
(i) Click OK to close the Surface Monitor dialog box.
8. Create a surface monitor for Bin-3-fraction.
Monitors (Surface Monitors) Create...
Set the parameters as shown in the following dialog box.
9. Create a surface monitor for Bin-5-fraction.
Monitors (Surface Monitors) Create...
Set the parameters as shown in the following dialog box.
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10. Save the initial case le (bubcol new2-initial.cas.gz).
When using the population balance model, the settings do not get applied to the solver.
In order to get appropriate results, you need to exit ANSYS FLUENT and read the case
le in a new session (so that the settings are applied).
11. Exit ANSYS FLUENT.
Step 10: Calculation
1. Read the case le (bubcol new2-initial.cas.gz) in a new ANSYS FLUENTsession.
2. Initialize the solution and patch the regions. Repeat Step 9: 35.
3. Set the time stepping parameters.
Run Calculation
(a) Enter 0.01 s for Time Step Size.
(b) Enter 5000 for Number of Time Steps.
(c) Enter 100 for Max Iterations/Time Step.
(d) Click Calculate.
The scaled residuals are as shown in Figure 3. Figures 4-6 show the plots of con-
vergence history of Bin-0-fraction, Bin-3-fraction, and Bin-5-fraction, respectively.
4. Save the case and data les (bubcol new2.cas/dat.gz).
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Figure 3: Scaled Residuals
Figure 4: Convergence History of Bin-0-fraction
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Figure 5: Convergence History of Bin-3-fraction
Figure 6: Convergence History of Bin-5-fraction
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Step 11: Postprocessing
1. Display the lled contours of air volume fraction.
Graphics and Animations Contours Set Up...
(a) Select Phases... and Volume fraction from the Contours of drop-down list.
(b) Select air from the Phase drop-down list.
(c) Disable Auto Range from the Options list and enter 0 for Min and 0.1 for Max.
(d) Click Display (see Figure 7).
Figure 7: Contours of Volume Fraction of Air
The changes in phase from inlet to outlet, and areas with low volume fraction as
well as dead zones can be observed.
2. Create a vector plot for water velocity and observe the recirculation patterns.
Graphics and Animations Vectors Set Up...
(a) Select Velocity and water-liquid from the Vectors of and Phase drop-down lists
respectively.
(b) Click Display (see Figure 8).
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Modeling Bubble Breakup and Coalescence in a Bubble Column Reactor
Figure 8: Water Velocity Vector Colored by Velocity magnitude of Water
3. Create a contour plot of population balance for air phase.
(a) Select Population Balance Variables... and Bin-0-fraction from the Contours of
drop-down lists.
(b) Select air from the Phase drop-down list.
(c) Enter 0 for Min and 1 for Max.
(d) Click Display (see Figure 9).
Figure 9: Contours of Bin-0-fraction for Air Phase
4. Calculate the moments of the bubble size distribution for the uid region and the
outlet.
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Report Population Balance Moments...
(a) Increase Number Of Moments to 4.
(b) Ensure that uid is selected from the Cell Zones list and click Print. The values
of the moments are printed in the ANSYS FLUENT window are as shown:
>
Population Balance Moments over Surface(s) (default-interior)
Moment Number Moment
------------------------- ------------------------
0 1489889.2
1 5600.0782
2 27.479965
3 0.19211298
Population Balance Moments over Volume(s) (fluid)
Moment Number Moment
------------------------- ------------------------
0 1483171.4
1 5582.8814
2 27.470498
3 0.19260043
5. Plot the volume averaged discrete number density function distribution for dierent
bubble sizes for the uid volume.
Report Population Balance Number Density...
(a) Select Volume Average from the Report Type list.
(b) Select Discrete Number Density from the Fields list.
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(c) Select Histogram from the Plot Type list.
Histogram is enabled only after you select Discrete Number Density from the Fields
list.
(d) Select uid from the Cell Zones list.
(e) Click Print to print the values in the ANSYS FLUENT console. The values printed
in the console are as shown:
>
Number Density for Discrete Method
Particle Diameter Number Density
------------------------- ------------------------
0.012004528 66031.477
0.0075623785 76371.661
0.004764 114764.32
0.0030011319 1216879.3
0.0018905946 4335.9113
0.001191 4788.7544
(f) Click Plot to plot the histogram of the volume averaged number density distri-
bution with bubble diameter (see Figure 10).
Figure 10: Volume Averaged Number Density Distribution Histogram
You can also plot the length and volume based number density distribution.
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6. Create a surface x=1 with x-coordinate equal to 1.
Surface Iso-Surface...
(a) Select Mesh... and X-Coordinate from the Surface of Constant drop-down list.
(b) Enter 1 for Iso-Values.
(c) Enter x=1 for New Surface Name.
(d) Click Create.
(e) Close the Iso-Surface dialog box.
7. Plot the surface averaged discrete number density function distribution for dierent
bubble sizes for the surface at x=1.
Report Population Balance Number Density...
(a) Select Surface Average from the Report Type list.
(b) Select Discrete Number Density from the Fields selection list.
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(c) Select Histogram from the Plot Type list.
(d) Select x=1 from the Surfaces list.
(e) Click Print to print the values in the ANSYS FLUENT console.
The values printed in the console are as shown:
Number Density for Discrete Method
Particle Diameter Number Density
--------------------------------- ------------------------
0.1941455 0.65229802
0.077046692 125.01903
0.030576 2729.8223
0.012134094 29808.771
0.0048154183 2617.7323
0.001911 940.51139
(f) Click Plot to plot the histogram of the surface averaged number density distri-
bution with bubble diameter (see Figure 11).
Figure 11: Surface Averaged Number Density Distribution Histogram
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8. Plot the distribution along the central axis of the bubble column for each scalar.
Plots XY Plot Set Up...
(a) Select Population Balance Variables... and Bin-3-fraction from the Y Axis Function
drop-down lists.
(b) Select air from the Phase drop-down list.
(c) Select axis from the Surfaces list.
(d) Click Axes... to open the Axes - Solution XY Plot dialog box.
i. Disable Auto Range from the Options list.
ii. Enter 1.8 for Maximum and click Apply.
iii. Close the Axes-Solution XY Plot dialog box.
(e) Click Plot (see Figure 12).
You can see the initial bubble size distribution.
Figure 12: Distribution of Bubble Size Along the Axis for Bin-3-fraction
The Bin-3-fraction (initial bubble size) decreases from inlet to outlet.
(f) Close the Solution XY Plot dialog box.
Breakup and coalescence are irrelevant in the freeboard region, which does not
contain water.
9. Create and plot a custom eld function that calculates the fraction of air contained
in a bubble size corresponding to Bin-3-fraction.
Dene Custom Field Functions...
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Modeling Bubble Breakup and Coalescence in a Bubble Column Reactor
(a) Select Population Balance Variables... and Bin-3-fraction from the Field Functions
drop-down lists.
(b) Select air from the Phase drop-down list.
(c) Click the Select button to include this variable.
(d) Click the multiplication sign x.
(e) Select Phases... and Volume fraction from the Field Functions drop-down list and
click the Select button.
(f) Enter discrete-size-3-fraction for New Function Name.
(g) Click Dene to create the function.
(h) Close the Custom Field Function Calculator dialog box.
10. Plot the contours of the custom eld function discrete-size-3-fraction.
Graphics and Animations Contours Set Up...
(a) Select Custom Field Functions... and discrete-size-3-fraction from the Contours of
drop-down list.
(b) Disable Auto Range and enter 0 for Min and 0.04 for Max.
(c) Click Display (see Figure 13).
(d) Close the Contours dialog box.
11. Plot contours of the distribution of the Sauter diameter.
Graphics and Animations Contours Set Up...
(a) Select Properties... from the Contours of drop-down list.
(b) Select air from the Phase drop-down list.
(c) Select Diameter from the Contours of drop-down list as the uid property for
plotting.
The Diameter option is available only after selecting air.
(d) Click Display (see Figure 14).
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Figure 13: Contours of Custom Field Function discrete-size-3-fraction
Figure 14: Contours of Sauter Diameter
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12. Similarly, plot the histogram of the Sauter diameter distribution in the uid volume.
Plots Histogram Set Up...
(a) Select Properties... from the Histogram of drop-down list.
(b) Select air from the Phase drop-down list.
(c) Select Diameter from the Histogram of drop-down list as the uid property.
(d) Click Plot (see Figure 15).
The plot shows the distribution of the length number density of bubbles with Sauter
diameter. You can also click Print to print the distribution in the ANSYS FLUENT
console.
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Figure 15: Histogram of Sauter Diameter Distribution
Suggested Exercises
1. Calculate the gas hold-up in the column using the volume integration tools in ANSYS
FLUENT and knowing the initial dimensions of the water column.
2. Rerun the case for a ner bubble size distribution using a geometric volume ratio of
2 around the inlet bubble diameter of 3 mm.
Summary
This tutorial used the population balance approach to solve the bubble size and ow dis-
tribution in an axisymmetric bubble column and illustrated the setup, solution process and
postprocessing of gas-liquid multiphase ows with a size distribution. It used the discrete
method to calculate the bubble size distribution for the population of six dierent bubble
sizes.
References
[1] Luo, Hean; Svendsen, Hallvard F., Theoretical model for drop and bubble breakup in
turbulent dispersions, AIChE Journal v. 42, no. 5, May 1996, pp. 1225-1233.
[2] Sanyal, J.; Vasquez, S.; Roy, S.; Dudukovic, M.P., Numerical simulation of gas-liquid
dynamics in cylindrical bubble column reactors, Chemical Engineering Science, v. 54, no.
21, 1999, p. 5071-5083.
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