Fluidized Bed Reactor Demo PDF

Reaction in Fluidized Beds
Guide to the Fluidized Bed Reactor Demo
Aspen Technology
Burlington, MA
2013
2013 Aspen Technology, Inc. All rights reserved
Why Model a Fluidized Bed Reactors?

Problem: Yield below expectations, loss of fines, unknown
particle size distributions or flow rates, high operating costs
Benefits:
Optimize reactor yield
and selectivity
Gain a better
understanding of particle
size distributions and
flow rates throughout
process
Minimize loss of fines due
to optimal designed gassolid separation sections
Reduce operating costs
due to optimal gas and
solids flow rates
Fluidization in Aspen Plus

Aspen Plus fluidized bed model
describes isothermal fluidized bed
fluid mechanics (one-dimensional)
entrainment of particles
considers
particle size and density / terminal velocity

geometry of the vessel
additional gas supply
impact of heat exchangers on bed temperature and fluid mechanics
chemical reactions and their impact on the fluid-mechanics and
vice-versa
provides different options/correlations to determine

minimum fluidization velocity
transport disengagement height
entrainment of solids from the bed
distributor pressure drop (porous plate / bubble caps)
Model short description

- fluid-mechanics
Model of the fluidized bed considers two zones
Bottom zone
high solids concentration
fluid mechanics according to Werther and Wein.
considers growth and splitting of bubbles
Freeboard
comparable low solids concentration
fluid mechanics according to Kunii and Levenspiel
User defines bed inventory by specifying the pressure drop or the

solids hold-up
height of the bottom zone and the freeboard can be determined
bubble related profiles (e.g. bubble diameter, bubble rise velocity etc.),
interstitial gas velocity, pressure and solids volume concentration profile
can be calculated
by use of selected entrainment correlation the solids mass flow and PSD at
the outlets can be calculated

- chemical reactions
Model allows to consider chemical reactions
assumptions:
gas in plug flow
solids ideally mixed
each balance cell is considered as CSTR
model considers
impact of volume production/reduction on the fluid mechanics
change in PSD due to reaction
Use reaction object to define

stoichiometry
reaction kinetics

- Change in particle size
Particle size distribution may change due to chemical reaction
available options that allow to calculate or set the bed PSD

- Fluidized Bed GUI
Define bed inventory by

defining bed pressure
drop or bed mass
Define voidage at
minimum fluidization
Select Geldart group for
the bed material
Specifications
Tab
Specify minimum
fluidization velocity
or select a
correlation to
determine it
Define decay
constant for the
freeboard
Select correlation used for

the calculation of the TDH
Specify gradient used for
determination of TDH based
on calculated solids volume
concentration profile
Select correlation
used for the
determination of
the entrainment
flow
Overwrite
correlation
parameter if
necessary

- Fluidized Bed GUI
Operation Tab
Define temperature in the vessel by specifying either:
heat duty
temperature

- Fluidized Bed GUI
Geometry Tab
Specify Dimensions
Height of the vessel
Solids outlet location (relative to the

height)
Cross-section (circular or rectangular)
If the vessel diameter changes with

height or remains constant
Define the vessel diameter

as function of height
Specify the location

of additional gas
inlets
Remarks:
- All locations are relative to the vessel height
(0 bottom, 1 top)
- Table for additional gas inlets is only active if streams
are connected to the additional gas inlet port

- Fluidized Bed GUI
Gas Distributor
Tab
Define distributor pressure drop method
Constant pressure drop
Calculated based on geometry and given

orifice discharge coefficient
Select distributor type
Perforated plate
Bubble caps
Define
distributor
geometry
10

- Fluidized Bed GUI
Heat Exchanger
Tab
Define heat exchanger

geometry
Define heat transfer

coefficient
Select if arithmetic or
logarithmic temperature
difference should be used
Remark:
- Heat exchanger input form is only active if streams are
connected to the heat exchanger inlet and outlet
11

- Fluidized Bed GUI
Reactions
Tab
Shows list of available

reaction sets
Defined reaction sets

can be edited via the
reactions section in
the Navigation Pane
Shows list of selected

reaction sets
Select or remove
reaction sets
Add new reaction set
12

- Fluidized Bed GUI
PSD
Tab
Select method that should be

use to determine the PSD
after the reaction occurred
Remark:
- PSD input form is only active if a reaction set is
selected on the reactions input form
13

- Fluidized Bed GUI
Define solver
tolerance and
maximum
number of
solver steps
Convergence Tab
Define minimum
relative deviation
used by the solver
to recalculate the
height of the zones
Define number of cells

used for the
discretization of the
bottom zone and the
freeboard
Define a flash
parameter
14
Fluidized Bed Reactor

- Application Example
Task: Setup a Aspen Plus model to simulate the synthesis of
organosilanes as monomer for silicone polymers
Reaction (simplified):
Si + 2CH3Cl + (Cat.) (CH3)2SiCl2
Silicone
Chloromethane
Dimethyldichlorosilane
Silicon is
mixed with
copper
(catalyst)
Entrained
particles are
separated with a
gas cyclone and
recycled
Chloromethane is
used a fluidization
gas
15
Fluidized Bed Reactor Example

- Custom Table & Layouts
Open file fluidized bed reactor
demo.bkp
A custom table is used to show
the main input and output
parameters of the model
Several layouts have been
defined to more easy use the
model and review the calculation
results
To navigate through the layouts,
use the Swtich Layout option
in the View Ribbon
16

- Feed Definitions
PSD mesh
type: Logarithmic
number of intervals 100
lower limit: 0.0001 mm
upper limit: 10 mm
Remark: We will use the constant number

of particles model in the fluidized bed and
therefore the silicones particles will shrink
need enough classes in the fine range to
get a good resolution
Chloromethane (CH3Cl) feed

108 kmol/hr CH3Cl
17

- Feed Definitions
Silicone feed
54 kmol/hr silicone
PSD described by RRSB
distribution with d63,3 =
85 mu an dispersion
parameter n = 2
Copper feed
0.1 kmol/hr copper
PSD described by
RRSB distribution
with d63,3 = 200
mu an dispersion
parameter n = 2
18

- Heater and Mixer Setup
Heater
Outlet temperature of
200 C is specified
No pressure change
Mixer
Specify outlet pressure of
2 bar
Remark: By default the mixer sets the outlet stream to the lowest inlet pressure. Since the stream
from the cyclone (RECYCLE) will have a lower pressure as the solids inlet stream (TO-REAC) due to
the pressure drop of the cyclone, we need the set the pressure in the mixer.
19

- Gas Cyclone Setup
Simulation mode is used
(separation efficiency is
calculated based on given
geometry and stream
data)
Efficiency calculation
according to
Muschelkanutz is used to
predict the grade
efficiency curve
Geometry of the gas
cyclone is described by use
of a geometry concept
according to Stairmand. All
measurements (e.g. vortex
finder length etc.) are
related to the main
diameter of the cyclone.
20

- Fluidized Bed Setup
Specifications
Bed inventory is defined
by given bed pressure
drop of 60 mbar
Minimum fluidization
velocity is determined by
use of the correlation
according to Wen & Yu
TDH model according to
George and Grace is used
Entrainment is modeled
according to the
correlation from Tasirin &
Geldart (the default
parameters of the
correlation are used)
21

Operating conditions
Temperature in the
vessel is set to 573 K
Geometry
Height of the vessel is set to 4
meters
Relative solids discharge
location is 0.1 (0.4 meters from
the bottom)
Cross-section is circular with a
height dependent diameter
0 2 meters:
1.5 meter diameter
2-3 meters:
extension of the diameter
from 1.5 meter to 2 meter
3-4 meters:
2 meter diameter
22

Gas Distributor
Perforated plate with 6000
openings each 2 mm
diameter is used
Pressure drop is calculated
based on geometry of the
gas distributor and given
orifice discharge coefficient
Reactions
Shows the available and
selected reaction sets
For the time being no
reaction set is selected
no reaction will occur in
the reactor
Remark: The predefined reaction set R-2 will
be used later in the example
Remark: Heat exchanger tab is inactive since no heat exchanger streams have been connected to the
block ( heat exchanger will not be considered in this example)
23

PSD
The PSD tab is inactive
since no reaction sets
have been selected
Convergence
Use default parameters
for all settings except
the number of cells for
bottom zone and dilute
zone (freeboard)
Set number of cells for
bottom and dilute zone
to 10 to speed up
calculation
24

- Calculator Setup
Calculator is used to
calculate CH3Cl
conversion
Switch to layout
calculator for details
25

- Run the Model and Review Results
Run the model
Open the layout flowsheet-results
Remark: For now the model does not consider any chemical reactions
26

- Review Results
Custom table
shows:
- CH3Cl flow in the
FB exhaust gas
- Superficial gas
velocity on the
bottom and the
top of the
fluidized bed
- CH3Cl conversion
Results summary shows

main results (e.g. height of
bottom zone, pressure
drops) of the fluidized bed
Plots show solids volume concentration and superficial

gas velocity as function of the vessel height
Further plots (e.g. bubble diameter, pressure etc.) can
2013 Aspen Technology,
Inc. All rights by
reserved
27 plot gallery
be generated
use |of the

- Review Results
Conversion of CH3Cl is
zero, since no reactions
have been defined
Superficial gas velocity on
the top of the vessel is
smaller than on the bottom
due to extension of the
vessel with height
28

- Add Reactions
1
Open reactions input

form of the fluidized bed
Select POWERLAW
as type
Click New
New reaction set is

shown in the list of
selected reaction sets
Remark: This adds a power law

based kinetic to the reaction set.
Other types available are GENREAL,
USER etc.
29
Enter ID and click

OK
Open input forms of

the reaction set from
the navigation pane

- Add Reactions
7
Click New to start

defining the stoichiometry
Enter exponents for the

kinetics and click close
Select the educts and products and

enter the stoichiometry coefficients
Reaction: Si + 2CH3Cl (CH3)2SiCl2
For power law type the kinetic (with

concentration basis molarity) is given as:
=
Remark: Copper is used as the catalyst and
therefore included in the kinetic but not in the
stoichiometry of the reaction
ai are the exponents that are defined on

the form on the left
Remark: The kinetic used here is only for demonstration purposes and NOT based on measured data or data from literature
30

- Add Reactions
10
Open the Kinetic input form
11
Enter the kinetic parameters
Select vapor as reacting base

Select reactor volume as rate basis
Enter values for parameter k and
activation energy
Select molarity as rate basis
31

- Add Reactions
12
Click Solids button
13
Make solids
specific settings
14
Close reaction input forms and

make sure that R-1 is selected as
reaction set for the fluidized bed
15
Select Constants number of

particles the PSD tab
Remark: Since silicone is consumed in the

reaction the silicone particles will shrink, while
the copper particle size will be unchanged
32

- Run the Model and Review Results
Reinitialize & Run the model
Open the layout flowsheet-results reaction
33

- Review Results
Results summary
shows main results
(e.g. height of
bottom zone,
pressure drops) of
the fluidized bed
In case of defined chemical reactions a plot

of the gas phase composition is available in
the plot gallery |
34

- Review Results
no chemical reaction
chemical reaction
CH3Cl conversion is 69.6%

Superficial gas velocity at the top of
the vessel dropped from ~0.24 m/s
to 0.15 m/s due to reduction in
volume as a result of the chemical
reaction
35
Investigate influence of Copper flow rate

Change copper flow rate from 0.1 kmol/hr to 0.3 kmol/hr and run the model
0.1 kmol/hr Cu
0.3 kmol/hr Cu
Increased copper flow rate leads to increased CH3CL

conversion (based on the defined kinetics)
36
Add more reactions

The predefined reaction set R-2 contains the following
reactions and corresponding kinetics
2 Si + 4 CH3Cl (CH3)3SiCl + CH3SiCl3

Si + 3 CH3Cl (CH3)3SiCl + Cl2
Si + 2 Cl2 SiCl4
2 CH3Cl C2H4 + 2 HCl
Si + 2 HCl HSiCl3 + H2
Add the reaction set R-2 to the selected reaction sets in the
fluidized bed, reinitialize and run the simulation
2
37
Review Results
CH3Cl conversion
increased to 99.4%
Superficial gas velocity at
the top of the vessel
dropped to 0.13 m/s due
to reduction in volume as
a result of the chemical
reactions
38
Summary
The fluidized bed model in Aspen Plus v8.4 allows to
consider chemical reactions and their impact on the fluidmechanics and the particle size of the material in the vessel
The reactions are defined by use of a reaction object
39

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Reaction in Fluidized Beds

Guide to the Fluidized Bed Reactor Demo

2013 Aspen Technology, Inc. All rights reserved

Why Model a Fluidized Bed Reactors?

Fluidization in Aspen Plus

particle size and density / terminal velocity

provides different options/correlations to determine

Model short description

considers growth and splitting of bubbles

User defines bed inventory by specifying the pressure drop or the

Model short description

Use reaction object to define

2013 Aspen Technology, Inc. All rights reserved

Model short description

2013 Aspen Technology, Inc. All rights reserved

Fluidization in Aspen Plus

Define bed inventory by

Select correlation used for

2013 Aspen Technology, Inc. All rights reserved

Fluidization in Aspen Plus

2013 Aspen Technology, Inc. All rights reserved

Fluidization in Aspen Plus

Height of the vessel

Solids outlet location (relative to the

Cross-section (circular or rectangular)

If the vessel diameter changes with

Define the vessel diameter

Specify the location

Fluidization in Aspen Plus

Define distributor pressure drop method

Constant pressure drop

Calculated based on geometry and given

Select distributor type

2013 Aspen Technology, Inc. All rights reserved

Fluidization in Aspen Plus

Define heat exchanger

Define heat transfer

Fluidization in Aspen Plus

Shows list of available

Defined reaction sets

Shows list of selected

2013 Aspen Technology, Inc. All rights reserved

Fluidization in Aspen Plus

Select method that should be

Fluidization in Aspen Plus

Define number of cells

2013 Aspen Technology, Inc. All rights reserved