CHEMICAL REACTOR

ENGINEERING

FIXED BED
REACTOR DESIGN
PROBLEM
ASSIGNMENT
DR ZAKI EL HASSAN
SUBMITTED ON 08/12/2014

DHUWARAHA RAJATHELAKAN
B00172276
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TABLE OF CONTENTS

1. INTRODUCTION..................................................................................................3
2. AIM....................................................................................................................... 3
3. MODEL USED......................................................................................................3
4. DATA GIVEN........................................................................................................4
5. THEORY...............................................................................................................5
6. RESULTS.............................................................................................................8
7. DISCUSSION..................................................................................................... 11
8. CONCLUSION....................................................................................................12
9. REFERENCE..................................................................................................... 12

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1. INTRODUCTION
An initial design is essential, due to the purpose of the preparation of constructing a fixed bed
catalytic reactor. A solid catalyst is used for the catalytic oxidation of A to B that occurs in
the reactor. The type of reactor used for this oxidation is called a shell and tube heat
exchanger reactor. Steam is generated when the water which is in the tubes that are packed
with the catalyst is boiled in the shell. The reaction conversion, volume of the solid catalyst
and the maximum allowable temperature are dictated by the design restrictions.

2. AIM
The aim of this design problem is to state an initial design of the equipment together with the
number of tubes used, the diameter, and the length of the individual tubes.

a) Model used
b) Number of tubes
c) Diameter and length of tube

3. MODEL USED
The approach taken for the choice of a particular model relies on the parameters and the
nature of the process. To evaluate fixed bed catalytic reactors, various methods can be used.
The main categories are one-dimensional and multi-dimensional. There are two
classifications in which the models can be assigned to. The two different types of groups are
heterogeneous model and pseudo-homogeneous model. For the construction of this specific
fixed bed catalytic reactor the first information that is taken in to account is that the catalyst
used is a solid. This automatically rules out the pseudo-homogeneous model for the reason
that it terminates the reaction as a result of the existence of the solid catalyst in the reactor
and therefore the system is treated as a continuous homogeneous unit. Thus the construction
utilises the heterogeneous model due to the fact that it takes in to account for the existence of
all phases such as solid, liquid and gas. (Gilbert F. Froment, 2011)

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4. DATA GIVEN

Design Constraints’:
Feed composition: 9 %
Feed rate: 0.012
Desired A conversion: 10 %
Feed temperature: 520 K
Feed pressure: 15 bar
Jacket temperature: 500 K
Max allowable temperature: 570 K
Available catalyst sizes, Pipe Diameter: 1 mm, 1.5, and 2 mm
Available tube sizes: 10 mm, 20mm, 25.4mm and 50 mm (diameter)

Additional Data:
Reaction Rate Constant: k =1.5 x 10−4 exp(−8000 /T )
Reaction Rate (-rA) = k CA η (Kmol kg cat-1 s-1)
Effectiveness factor (η): 0.9 for 1 mm pellets
0.75 for 1.5 mm pellets
0.6 for 2 mm pellets
Heat of reaction: -400 MJ kmol-1 A reacted
Solid density of catalyst: 1500 kg m-3
Bed porosity: 0.4
The Overall Heat Transfer Coefficient: 150 W.m-2K-1

Mean Properties of the process stream:

Heat capacity: 30 kJ.kmol-1K-1
Density: 0.5 Kmol.m-3 (15 kg.m-3)
Molecular weight: 30
Thermal conductivity (Kf): 0.04 W.m-1 K-1
Viscosity: 3 x 10-5 N.s.m-2

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5. THEORY
The derived equations that are used for the basic Pseudo-homogeneous one-dimensional
model are also suitable for the non-isothermal plug flow reactors as long as the reaction rate
is distinct.
The basic mass balance equation gives:
Input = Output + Reaction
U s C A A s =( U s + dU s ) ( C A +dC A ) A s + (−r ' A ) ρb dV

dV ≡ As dz
Us ≡ Superficial velocity (m.s-1)
CA ≡ Concentration of A (Kmol.m-3)

As ≡ Cross-sectional area of the reactor (m2)

ρB ≡ Bulk density of Catalyst (kg Catalyst m-3)

(-r'A) ≡ Rate of reaction per unit mass of the catalyst.

The brackets of the basic mass balance equation are multiplied out while similar terms are
cancelled and small amounts like dCA.dUs are ignored gives:
U s C A A s =U s dC A A s +C A dU s A s + (−r ' A ) ρb dV
But U s dC A +C A dU s=d (C A U s)

Substituting and rearranging the above equation shows:

−d ( U s C A )
=(−r A ) ρb
'
dz
Note: dV = As.dz
d ( Ca )
−Us =(−ra) ρB
dz
dx
Us .Ca o =(−ra)ρ B
dz
−8000
( )
dx (1.5 ×104 exp T
×(1−x) ×η ×Cao )
=
dz UsCao

The Cao cancels out to give the equation below:

4 (−8000
T )
dx (1.5 ×10 exp ×(1−x) ×η x ρb)
=
dz Us

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This equation was then inserted in to polymath to be solved.
The values for each parameter were defined and all limits were also put in to the program as
shown below.
x(0) = 0
z(0) = 0

Solid density of catalyst ps = 1500 Kg/m3 and e = 0.4

Pb = ps x (1-e) 1500 x ( 1−0.4 ) =900

Feed flow rate (Kmol/s) Nto = 0.012

Qo = Nto x 22.2 x (520/273.15) x (1.01325/14.8) = 0.0347

T = 459 K This varies when diameter, number of tubes or effectiveness factor changes.
To = 520 K This is the given feed temperature.
Q = (Qo x T)/To ( 0.0347 x 520 ) /520=0.035

The diameter used to calculate area varies between 10 mm, 20 mm, 24.5 mm or 50 mm. Nt
will also change because it is the number of tubes used.
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A= (π x D2 x Nt)/4 (π x 0.01¿¿ 2 x 104)/4=0.0082 m ¿

Superficial velocity gives Us = Q/A 0.035 /0.0082=3.76

Feed molar composition % A FCa = 0.09

Cao = (FCa x Nto)/Q (0.09 x 0.012)/0.035=0.035

The x value will be vary but will remain very close to 0.1
Ca = Cao x (1-x) 0.035 x (1−0.10004 )=0.032

rA = ((1.5 x 104) x exp(-8000/T)) x Ca x n

( )
−6

r A = 1.5× 10
4
exp
( T )
−8000
× ( 1−x ) × C x n =7.745 x 10
A

Nao = FCa x Nto 0.09 x 0.012=0.00108

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 This parameter determines the column height z(f) = 1. By altering this value you may find
that the temperature and the conversion of the feed will be affected. This parameter uses trial
and error method to be determined.

Throughout the calculation the only parameters that changed were

i. Number of tubes used
i.1. The number of tubes can vary depending on the conversion of A.
If the conversion does not appear on the graph keep altering the Nt value.
ii. Effectiveness factor
ii.1. The effectiveness factor (η) is given as;
0.9 for 1 mm pellets,
0.75 for 1.5 mm pellets
0.6 for 2 mm pellets
iii. Diameter of the tubes
iii.1.The given diameters are 10mm, 20mm, 25.4mm and 50mm.
Each diameter gets used with the different effectiveness factor to give an conversion A
within 0.10 and maximum allowable temperature of 570K.

The height has an effect on the feed temperature, T, which must be below the maximum
allowable temperature for the design to work.
The energy balance equation below will calculate dt/dz (data is given on pg 4)
d (u s T ) U
ρgC p =( ∆ Hr )(−ra ) ρB −4 (T −T jac )
dz D

dt U
ρgC p Us =( ∆ Hr ) (−ra ) ρ B−4 ( T−T jac)
dz D

U
( ∆ Hr ) (−ra ) ρ B−4 (T −T jac)
dt D
=
dz ρg Cp Us

( 400 x 10 3 )( −7.745 x 106 ) 900−4 0.15 (459−500)

0.01 - 50.41
¿ =¿
0.5 x 30 x 3.76

Volume of catalyst, Vc = ( π D2 x Nt x z)/4 (π∗0.01¿¿ 2 x 104 x 1)/4=0.008 ¿

(Zaki E Hassan, 2014)

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 6. RESULTS
The program named polymath was used to solve the equations stated above. The table
presented below shows the variation of tube diameter sizes used along with the different
effectiveness factors to achieve the different parameters within the maximum allowable
temperature and given % conversion rate of A.
The x values on the tabulated results are the closest value achieved to the given percentage of
conversion A.

The variation of effectiveness factors against each diameter were:

Effectiveness factor (η) Diameter (mm)
0.6 10 20 25.4 50
0.75 10 20 25.4 50
0.9 10 20 25.4 50

Run z x T Nt D n

1 1 0.1000355 459.19 104 0.01 0.6

2 0.5013 0.1001125 450.21 60 0.02 0.6

3 0.9722 0.1000213 447.45 20 0.0254 0.6

4 0.6965 0.1000673 440.73 8 0.05 0.6

5 0.9717 0.1000939 456.18 90 0.01 0.75

6 0.7152 0.100043 447.62 35 0.02 0.75

7 0.4076 0.1003948 444.9 40 0.0254 0.75

8 0.9155 0.1000466 438.95 5 0.05 0.75

9 0.7959 0.1000266 453.81 95 0.01 0.9

10 0.98 0.1001186 445.6 22 0.02 0.9

11 0.9237 0.1000543 443.2 15 0.0254 0.9

12 0.7776 0.1000295 437.66 5 0.05 0.9

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 The full table is displayed below. The highlighted row shows the best diameter and effectiveness factor to be used. (25.4mm and 0.6(η) – 2mm pellets)
C Tja

z x T Nt e D ps Nto n Qo To Fca Q Nao Cao pb Ca dHr p U c pg A ra Us Vc

1 0.10004 459 104 0.4 0.01 1500 0.012 0.6 0.035 520 0.09 0.031 0.001 0.0352 900 0.032 4.00E+05 30 0.15 500 0.5 0.008 7.75E-06 3.8 0.008

0.5 0.10011 450 60 0.4 0.02 1500 0.012 0.6 0.035 520 0.09 0.03 0.001 0.0359 900 0.032 4.00E+05 30 0.15 500 0.5 0.019 5.58E-06 1.6 0.009

0.97 0.10002 447 20 0.4 0.0254 1500 0.012 0.6 0.035 520 0.09 0.03 0.001 0.0361 900 0.033 4.00E+05 30 0.15 500 0.5 0.01 5.03E-06 2.9 0.01

0.7 0.10007 441 8 0.4 0.05 1500 0.012 0.6 0.035 520 0.09 0.029 0.001 0.0367 900 0.033 4.00E+05 30 0.15 500 0.5 0.016 3.89E-06 1.9 0.011

0.97 0.10009 456 90 0.4 0.01 1500 0.012 0.75 0.035 520 0.09 0.03 0.001 0.0355 900 0.032 4.00E+05 30 0.15 500 0.5 0.007 8.69E-06 4.3 0.007

0.72 0.10004 448 35 0.4 0.02 1500 0.012 0.75 0.035 520 0.09 0.03 0.001 0.0361 900 0.033 4.00E+05 30 0.15 500 0.5 0.011 6.33E-06 2.7 0.008

0.41 0.10039 445 40 0.4 0.0254 1500 0.012 0.75 0.035 520 0.09 0.03 0.001 0.0364 900 0.033 4.00E+05 30 0.15 500 0.5 0.02 5.71E-06 1.5 0.008

0.92 0.10005 439 5 0.4 0.05 1500 0.012 0.75 0.035 520 0.09 0.029 0.001 0.0368 900 0.033 4.00E+05 30 0.15 500 0.5 0.01 4.54E-06 3 0.009

0.8 0.10003 454 95 0.4 0.01 1500 0.012 0.9 0.035 520 0.09 0.03 0.001 0.0356 900 0.032 4.00E+05 30 0.15 500 0.5 0.007 9.56E-06 4.1 0.006

0.98 0.10012 446 22 0.4 0.02 1500 0.012 0.9 0.035 520 0.09 0.03 0.001 0.0363 900 0.033 4.00E+05 30 0.15 500 0.5 0.007 7.04E-06 4.3 0.007

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0.92 0.10005 443 15 0.4 0.0254 1500 0.012 0.9 0.035 520 0.09 0.03 0.001 0.0365 900 0.033 4.00E+05 30 0.15 500 0.5 0.008 6.42E-06 3.9 0.007

0.78 0.10003 438 5 0.4 0.05 1500 0.012 0.9 0.035 520 0.09 0.029 0.001 0.037 900 0.033 4.00E+05 30 0.15 500 0.5 0.01 5.17E-06 3 0.008

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7. DISCUSSION
The table above shows the feed temperature, T, ranging from 438K to 459K which is below
the give maximum allowable temperature 570K. This was a great result due to the fact that it
is within the design limits.
The x values are very close to the desired conversion rate which in this case is 10%. The
number of tubes was altered to achieve the most accurate conversions. In this particular
design the tube numbers goes as high as 104 and decreases to 5 tubes. The height, z, also aids
in attaining an accurate conversion rate.
The table shows a range of diameters, 0.1m, 0.02m, 0.0254 and 0.05m, which were changed
to achieve a feed temperature within the design limit and at the correct conversion rate. The
tabulated results display the different diameters, D, at the most accurate conversion rate, x.
The diameter has an effect on temperature, T because as the diameter increases the
temperature decreases. The increase in diameter does not have a uniform change in the
conversion rate it is rather random. Therefore choosing the perfect diameter for the design
needs to take the effectiveness factor in to account.
The effectiveness factors given are 0.6, 0.75 and 0.9 for different pellet sizes. The increase in
the effectiveness factor with the same diameter has a small change in height, conversion rate
and the temperature. The table below will prove this.

Run z x T Nt D n
1 1 0.1000355 459.19 104 0.01 0.6
5 0.9717 0.1000939 456.18 90 0.01 0.75
9 0.7959 0.1000266 453.81 95 0.01 0.9
Increasing the number of tubes with the same effectiveness factor and different diameter does
have an increase on the feed temperature, T as shown below.

Run z x T Nt D n
1 1 0.1000355 459.19 104 0.01 0.6
2 0.5013 0.1001125 450.21 60 0.02 0.6
3 0.9722 0.1000213 447.45 20 0.0254 0.6
4 0.6965 0.1000673 440.73 8 0.05 0.6
The effectiveness factor and the height have an influence on the volume of catalyst. Thus,
with a decrease in the pellet diameter and an increase in the height, the volume of the catalyst
increases. As shown below

z x n Vc
1 0.1 0.6 0.01
0.97 0.1 0.8 0.01
0.8 0.1 0.9 0.01

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8. CONCLUSION
In conclusion, the possibility to obtain a near perfect conversion rate is very high. The
parameters that are best suited for this design is highlighted on the main table on page 9. But
the table below shows the main values.
This shows that the design has a near perfect conversion rate when height, z, is 0.97 m,
temperature, T, is 447 K, diameter being 25.4 mm, effectiveness factor at 0.6 and this design
uses 20 tubes.
This seems reasonable because it uses less number of tubes with a rational height and also it
uses one of the lowest temperatures with the most accurate conversion rate.

Run z x T Nt D n Vc

2 0.972 0.1000213 447 20 0.0254 0.6 0.00985

9. REFERENCE
Gilbert F. Froment, K. B. (2011). Chemical Reactor Analysis and Design. United States: John
Wiley & Sons.

Zaki E. Hassan (2014) 'Week 6: Fixed Bed Catalytic Reactors ( non-isothermal plug flow
reactors)'. ENGG10033 Chemical Reactor Engineering. Available at
http://moodle.uws.ac.uk/course/view.php?id=2810 (Accessed: 5 December 2014)

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