Concentration Profile in

a Tubular Reactor
Pinili, Jeanne Kamille E.
Rejuso, Mark Arthur V.
Description of the Problem
A catalytic tubular reactor is shown below. A
dilute solution of solute A in a solvent S is in a
fully developed, laminar flow in the region z < 0.
When it encounters the catalytic wall in the
region 0 z L, solute A is instantaneously and
irreversibly rearranged to an isomer B. Write
the diffusion equation appropriate for this
problem, and find the solution for short
distances into the reactor. Assume that the flow
is isothermal and neglect the presence of B.
Description of the Problem





Figure 1. Boundary Conditions
for a tubular reactor
Description of the Problem
The flowing liquid will always be nearly pure
solvent S and neither A nor B will be present
in any large quantity. The product D
AS
is
considered constant and the diffusion of A in
S is described by the steady-state version of
the equation of continuity in terms of molar
concentration. The presence of a small
amount of the reaction product B is ignored.









Figure 2. A control volume for tubular
coordinates of component A
Development of the Mathematical Model
(Continuity of A)
the velocity field will be described as
=

the volume of the differential control volume is
=
the number of moles of component A in the control volume is

the rate of change of mole or accumulation the control volume is

(1)
(2)
(3)
(4)
Development of the Mathematical Model
(Continuity of A)

the net flow in the r direction is

=
1

the net flow in the direction is

=
1

the net flow in the z direction is

combining ( 3 ) to (6), the continuity equation simplifies to

+
1

+
1

=0
dividing by dV and rearranging the r components of the velocity

+
1

+
1

+
(

=0


(4)
(5)
(6)
(7)
Development of the Mathematical Model
(Continuity of A)

continuity equation(7) expressed in molar
ux components

, where

+
1

+
1

+
(

=0
the components of the molar ux are given for a binary system by
Ficks law of diffusion in the form

equation (8) combined with equations (9) through (11) simplies to

+
1

+

1

+
(

+

1

2
+

1

2









(8)
(9)
(10)
(11)
(12)
Development of the Mathematical Model
From equation 12,



The diffusion of A in S can be described as steady state and it is one -
dimensional, the flowing liquid moves along the z-axis.

Continuity of A:

We can make an assumption that axial diffusion can be neglected with respect
to axial convection, and therefore delete the second term
(

c
c
+
|
.
|

\
|
c
c
c
c
=
c
c
2
2
1
z
C
r
C
r
r r z
C
A A A
z AS
D v
Development of the Mathematical Model
(Continuity of A)

+
1

+
1

+
(

+

1

2
+

1

2

(

|
.
|

\
|
c
c
c
c
=
c
c
r
C
r
r r z
C
A A
z
1
AS
D v
Development of the Mathematical Model
(Equation of Motion)

Equation of Motion for a Newtonian Fluid with Constant and (App. B.6)
Cylindrical coordinates (r,,z):






Equation of Continuity


z
z z z z
z
z z
r
z
z r r
r
r r z z r r t
g
P

v
u
v v

v
v
u
v v v
v
v

u
+
(

c
c
+
c
c
+
|
.
|

\
|
c
c
c
c
+
c
c
=
|
.
|

\
|
c
c
+
c
c
+
c
c
+
c
c
2
2
2
2
2
1 1
( ) ( ) ( ) 0
1 1
=
c
c
+
c
c
+
c
c
+
c
c
z r
z
v
r
r
r r t
v
u
v

u
( )
r
r r
r
r
z
r r
r
r
v
r z r
r
r r r r r z r r t
g
P

u
v
u
v
v
v v
v
u
v v v
v
v

u u u
+
(

c
c

c
c
+
c
c
+
|
.
|

\
|
c
c
c
c
+
c
c
=
|
|
.
|

\
|

c
c
+
c
c
+
c
c
+
c
c
2 2
2
2
2
2
2
2 1 1
( )
u
u u
u
u u u u u u

u
v
u
v
v
u
v v v
v
u
v v v
v
v
g
P
+
(

c
c
+
c
c
+
c
c
+
|
.
|

\
|
c
c
c
c
+
c
c
=
|
.
|

\
|
+
c
c
+
c
c
+
c
c
+
c
c
r r
z r
v
r z r
r
r r r r r z r r t
2 2
2
2
2
2
2 1 1 1
Considering a steady-state, laminar flow of a fluid of constant density in a
tubular reactor of length L and radius R, the equation of motion will be
simplified. For small flow rates, the viscous forces will prevent continued
acceleration of the liquid through the tube so that

will become independent of

z in a short distance. Therefore, it is reasonable to postulate that
there is no radial flow , no tangential flow , and further that .
Consequently, we can discard many terms from the previous equations, leaving
equation of continuity (1)
r equation of motion (2)
equation of motion (3)
z equation of motion (4)
The first equation indicates that

depends only on r; hence the partial

derivatives in the second term on the right side of equation 4 can be replaced
by ordinary derivatives . Equations 2 and 3 show that P is a function of z
alone, and the partial derivative in the first term of equation 4 may be replaced
by an ordinary derivative.


Development of the Mathematical Model
(Equation of Motion)
0 =
c
c
z
z
v
|
.
|

\
|
dr
d
z
v
( ) r
z z
v v =
0 =
r
v
0 =
u
v
( ) z p p =
r c
c
=
P
0
u c
c
=
P
0
|
.
|

\
|
c
c
c
c
+
c
c
=
r
r
r r
z
v

1
0
z
P
Development of the Mathematical Model
(Equation of Motion)
The equation now becomes:
Motion: (5)
The only way that we can have a function of r plus a function of z equal to zero
is for each term individually to be a constant, C
0
so that equation 5 reduces to



The P equation can be easily integrated. The v
z
equation can be integrated by
double integration. This gives


Boundary Conditions:
1. z=0, P=P
0
2. z=L, P=P
L
3. r=R. v
z
=0
4. r=0, v
z
=finite
|
.
|

\
|
+ =
dr
d
r
dr
d
r dz
d
z
v

1
0
P
dz
d
C
dr
d
r
dr
d
r
z
P
= = |
.
|

\
|
0
1 v

1 0
C z C P + =
3 2
2 0
ln
4
C r C r
C
z
+ + =

v
Applying B.C.1
Motion:

Applying B.C.2 Velocity distribution for laminar,
Incompressible flow of a Newtonian
fluid in a tube is parabolic. The
maximum velocity
,
occurs at r=0,
and is
Applying B.C.3 and B.C.4


Since at r=0 (middle of the pipe), the Substituting this result to the
Velocity profile must be finite. C
2
must be equation
0.


Development of the Mathematical Model
0 0
P z C P + =
0
C
L
P P
L o
=

( )
L
z P P
P P
L

=
0
0
1 0
C P =
0 0
P L C P
L
+ =
( )
L
R
L
z

v
4
2
max ,
P P
0

=
( )
L
R
C
4
2
3
L 0
P P
=
( )
(
(

|
.
|

\
|

=
2
2
1
4 R
r
L
R
L
z

v
P P
0
( )
(
(

|
.
|

\
|
=
2
max ,
1
R
r
r
z z
v v
|
.
|

\
|
c
c
c
c
=
c
c
(
(

|
.
|

\
|

r
C
r
r r z
C
R
r
A
AS
A
z
1
1
2
max ,
D v
The new P.D.E.




Boundary Conditions:
1. z=0, C
A
=C
A0
2. r=R. C
A
=0
3. r=0, C
A
=finite

Development of the Mathematical Model
|
.
|

\
|
c
c
c
c
=
c
c
(
(

|
.
|

\
|

r
C
r
r r z
C
R
r
A
AS
A
z
1
1
2
max ,
D v
For short distances z into the reactor, the concentration C
A
differs from
C
A0
only near the wall, where the velocity profile is practically linear. Hence we
can introduce the variable , neglect curvature terms, and replace B.C.3
by a fictitious boundary condition at .

The reformulated problem statement is then


with the boundary conditions
1. Z=0, C
A
= C
A0
2. y=0, C
A
= 0
3. ,C
A
= C
A0


Solution of the Mathematical Model
2
2
max ,
2
y
C
z
C
R
y
A A
z
c
c
=
c
c
AS
D v
r R y =
= y
= y
This problem can be solved by the method of combination of independent
variables by seeking a solution of the form , where .

One thus obtains the ordinary differential equation .
The appendix C.1-9 gives the solution to this general form of ODE:

as

where z is just a dummy variable of integration.
The system that we have in this problem is analogously
( ) q f
C
C
A
A
=
0
3
1
2
max ,
9
2
|
|
.
|

\
|
|
.
|

\
|
=
z
R
R
y
z
AS
D
v
q
0 3
' 2 ' '
= + f f q
Solution of the Mathematical Model
0 3
2
2
2
= +
dx
dy
x
dx
y d
( )
}
+ =
x
C dz z C y
0
2
3
1
exp
( ) ( )
0 3
2
2
2
= +
q
q
q
q
q
d
df
d
f d
( )
( ) 1
0 0
=
=
f
f
Solution of the Mathematical Model
where




Applying the boundary condition to get



Applying the boundary condition to get




( ) q f
C
C
A
A
=
0
3
1
2
max ,
9
2
|
|
.
|

\
|
|
.
|

\
|
=
z
R
R
y
z
AS
D
v
q
( ) 0 0 = f
( )
}
+ =
0
0
2
3
1
exp 0 C dz z C
2
2
0
0 0
C
C
=
+ =
( ) 1 = f
( )
}

=
0
3
1
exp 1 dz z C
( )
|
.
|

\
|
I =

=
}

3
4
exp
1
0
3
1
dz z
C
When everything is put back together,

( )
( )
( )
( )
|
.
|

\
|

I
}
=
}
}
= =
3
4
3
0
3
0
3
0
0
exp
exp
exp q q
q q
q q
q
q q
d
d
d
C
C
f
A
A
Solution of the Mathematical Model
Interpretation of the Solution