Problem on External Diffusion

Effects on Heterogenous
Reactions (Mass Transfer-
Limited Reactions in Packed Bed
Reactor
Gomez, Ricky Jay
Terrado, Rence Christian
Problem
Mass Transfer-Limited Reactions in
Packed Bed Reactor

The decomposition of cyclohexane to benzene and
hydrogen is mass transfer-limited at high temperatures.
The reaction is carried out in a 5-cm ID pipe and 20 m in
length packed with cylindrical pellets 0.5 cm in diameter
and 0.5 cm in length. The pellets are coated with catalyst
only on the outside. The bed porosity is 40 %. The
entering volumetric flowrate is 60 dm3 min-1.
Requirments
Mass Transfer-Limited Reactions in
Packed Bed Reactor
Requirements
+ Calculate the number of pipes necessary to
achieve 99.9 % conversion of cyclohexane from
an entering gas stream of 5 % cyclohexane and
95 % H2 at 2 atm and 500 oC.

+ Plot conversion as a function of length.

Requirements
+ How much would your answer change if the
pellet diameter and length were cut in half?

+ What do you believe is the point of this

solution?
Diagram
Mass Transfer-Limited Reactions in
Packed Bed Reactor
Given Data
Mass Transfer-Limited Reactions in
Packed Bed Reactor
Given Data
+Pipe +Additional
ID = 5 cm = 0.40
L = 20 m vo = 60 dm3 min-1
+Pellet X = 99.9 %
D = 0.5 cm T = 500 oC
L = 0.5 cm P = 2 atm
+Diffusion Volumes +Molecular Masses
Va = 122 cm3 mol-1 Ma (cyclohexane) = 84 g mol-1
Vb = 7.07 cm3 mol-1 Mb (hydrogen) = 2 g mol-1
Solution
Mass Transfer-Limited Reactions in
Packed Bed Reactor
Derivation of Working Equation
+Mole Balance:

U + " = 0


U = "

Derivation of Working Equation
+Rate Law:
" = ( )
assuming rapid reaction: CA-S = 0
" =
Derivation of Working Equation
+Stoichiometry:
dC =

C =


v=

Derivation of Working Equation

=
= 0.05

= + ( + 1)
v
=
= 1+ ( + 1) = 1 + 0.05 3

c = 1 + 0.015
= = + 1
a
3 1
v = + 1
1 1
= v ( ) =3

Derivation of Working Equation
P = Po; T = To
v = v (1 + 0.015)

(1 )
=

(1 )
=
v (1 + 0.015)
1
=
1 + 0.15
Derivation of Working Equation
Combine:

=

1
U = ( )
1 + 0.15
1
= ( )
1 + 0.15
 Derivation of kc
Thoenes and Kramer correlation Superficial
Mass-transfer Particle diameter velocity
coefficient Density
1 1 1
=[ ]2 [ ]3
1 1

Diffusivity Porosity Shape Factor viscosity

Solution
Parameter Evaluation
1
6 3
=

1
2 3
6
=
4
1
2 3
6 0.5 0.5
=
4
= 0.5724
Solution
Parameter Evaluation
1
1 1 2
0.0011.75 +

=
1 1 2
( )3 +( )3
1
1.75 1 1 2
0.001 773.15 +
= 84 2
1 1 2
2 ( 122)3 +( 7.07)3
2

= 0.8570

Solution
Parameter Evaluation
2 + 2 2
=
2
0.5 2
2 2 0.5 + 2 0.5
=
0.5724 2
= 1.1445
Solution
Parameter Evaluation

=

3
60,000 60
=
5 2
4

= 50.9296

Solution
Parameter Evaluation
U = 1 + 0.15
= 50.9296 (1 + 0.15)
Solution
Parameter Evaluation
( + )
=

84 0.05 + 2 0.95 2
=
0.0821 773.15

= 0.1922

4

= 1.922 10
3
Solution
Parameter Evaluation
g
= 0.00017 (2 , 500 , 2 )
cm s
Solution
SUMMARY
= 0.5724
2
= 0.8570

= 1.1445

= 50.9296

U = 50.9296 1 + 0.15

= 1.922 104
3
g
= 0.00017 ( , 500 , 2 )
cm s 2
 Solution
0.5724 0.40 1
2 1 0.40 1.1445
0.8570


50.9296(1 + 0.15)(0.5724 )(1.922 104 3 )1 0.00017 1
=[ ]2 [ ] 3
2
(0.00017 ) 1 0.40 (1.1445) (1.922 104 )(0.8570 )
3
Solution
1
= 17.9955 (1 +
0.15)2
6 1
=

6 1 0.40
=
0.5724
= 6.2893 1
 Solution
Working Equation
1
= ( )
1 + 0.15
1
17.9955(1 + 0.15)2 1
= ( )
50.9296 1 + 0.15
1
= 2.2223[ 1 ]

(1 + 0.15)2
 Solution
Using Polymath
 Solution NOTE:
From the table, at X = 0.999,
Result the tube length for the packed
bed reactor should be at
approximately 3.326281 m.
 Solution NOTE:

In this plot, as the tube

Plot of X vs Z length increases, the
reaction progresses until
such time that the reaction
achieved equilibrium and
that no reaction occurs at
further increase in tube
length.
 Solution
If pellet diameter and length is reduced to half:

Pellet
D = 0.25 cm
L = 0.25 cm
 Solution
Summary of Evaluated Parameters
= 0.2862
2
= 0.8570

= 2.2891

= 50.9296

U = 50.9296 1 + 0.15

= 1.922 104
3
g
= 0.00017 ( , 500 , 2 )
cm s 2
 Solution
0.2862 0.40 1
2 1 0.40 2.2891
0.8570


50.9296(1 + 0.15)(0.2862 )(1.922 104 3 )1 0.00017 1
=[ ]2 [ ] 3
2
(0.00017 ) 1 0.40 (2.2891) (1.922 104 )(0.8570 )
3
1
= 35.9917 (1 + 0.15)2
Solution
6 1
=

6 1 0.40
=
0.2867
= 12.5786 1
 Solution
Working Equation
1
= ( )
1 + 0.15
1
35.9917 1 + 0.15 2 (12.5786) 1
= ( )
50.9296 1 + 0.15
1
= 8.8892[ 1 ]

(1 + 0.15)2
 Solution
Using Polymath
 Solution NOTE:
From the table, at X = 0.999 or
Result 99.9% conversion, the tube
length for the packed bed
reactor should be at
approximately 0.8 m.

This result is plausible because

reducing the size of the catalyst
particles is one of the methods
for increasing mass transfer and
hence kc
 Solution NOTE:

In this plot, as the tube

Plot of X vs Z length increases, the
reaction progresses until
such time that the reaction
achieved equilibrium and
that no reaction occurs at
further increase in tube
length.
 Solution
SIGNIFICANCE OF THE STUDY:

This problem gives an indication as to show change in

parameters such as length and diameter of the pellet may
affect a packed bed. This solved problem could be a
plausible basis of design of a packed bed reactor that
exhibits external diffusion effects on heterogenous
reactions.
Thanks for Listening!