PFR design.

Accounting for
pressure drop
Chemical Reaction Engineering I
Aug 2011 - Dec 2011
Dept. Chem. Engg., IIT-Madras
Overview
Notation
PFR design equation (mass balance)
Pressure drop equation


Accounts for change in number of moles (due to reaction)
Does not consider phase change
Methodology, with examples

Liquid phase reaction: Calculations are simple
Gas phase reaction: Calculations are more involved
Notation
Usual notation applies.
F
A
= molar flow rate of A, F
T
= total molar flow rate
V = volume of reactor, Q = volumetric flow rate
D = diameter and A = cross-sectional area of PFR, L = length of PFR, z =
distance (between 0 and L)
T = temperature, R = universal gas constant, P = pressure, P
A
= partial pressure
of A
x = conversion, c = fractional increase in number of moles for 100% conversion,
for a given feed conditions.
k = rate constant, C
A
= concentration of A
= density, = viscosity
f
f
= friction factor, Re = Reynolds number
<V
av
> = average velocity of the fluid in the PFR. Used sparingly.
Subscript in indicates inlet. E.g. F
A-in
is molar flow rate of A at the inlet.
Definitions and formulas
The following definitions are of use here:

Definition of x

Definition of c

Definition of C
A



For gas phase only:

From ideal gas law


At constant temperature
(1 )
A A in
F F x

=
(1 )
T T in
F F x c

= +
A
A
F
C
Q
=
(1 )
T in T
F x RT F RT
Q
P P
c

+
= =
(1 ) (1 )
T in in in
F x RT x P Q
Q
P P
c c

+ +
= =
Formulas
For liquid as well as gas phase


4
Re
av
D V
Q
D

t
= =
2
2 5
32
f
f Q
dP
dz D

t
=
2
16
if Re < 2100
Re
1
if Re > 10,000
6.9
12.96 log10
Re
f
f =
~
| |
| |
| |
\ .
\ .
You dont need to memorize these formulas
PFR design equation
Steady state conditions


For a first order reaction





At constant temperature




A
A in A
dF dx
F r
dV dV

= =
(1 )
A
n
A in
A i
x F dx
k k
dV Q
F
F
Q

= =
A in A
dx
F kC
dV

=
(1 ) (1 )
(1 )
in in
dx x k x P
k
V d Q P Q x c

= =
+
(1 )
(1 )
in in
dx k x P
P Q x
A
z d c

=
+
PFR design equation
(1 ) (1 )
,
(1 ) (1 )

where
in in
in in
dx A k x P x P
dz P Q x x
A k
P Q
|
c c
|

= =
+ +
=
For any other order of reaction also, write the equation such
that dx/dz = f(x,P). i.e. The only unknowns on the RHS must
be x and P
i.e. RHS must not have Q or C
A.
These are not known yet.
But Q
in
and C
A-in
are known and hence RHS may have these terms.




For an nth order reaction





( ) ( )
1
1
(1 ) (1 )
1 1

n n n n n
A in
n n
n n
in in
n
A in
n n
in in
F x P dx x P
kA
dz
P Q x x
F
where kA
P Q
|
c c
|

= =
+ +
=
Under steady state conditions, Reynolds number is a constant
Even though local velocity changes
This is because density also changes with location
We assume that the viscosity of the medium remains the same,
even when the reaction occurs

Under steady state conditions, (Q) = constant

Using Re, Calculate the friction factor f
f
.
Write pressure drop equation



Pressure Drop Equation
4
Re
Q
D

t
=
( ) ( )
2
2 5 2 5 2 5
32 32 32
in in f f f
Q Q f Q f Q f Q
dP
dz D D D

t

t t
= = =
( ) ( )
2 5 2 5
32 32
(1 )
f in in f in in in in
f Q Q f Q P Q
dP x
dz D D P

c
t t
+
= =
( )
2 5
(1 )
32
where
f in in in in
dP x
dz P
f Q P Q
D
c
o

o
t
+
=
=
Solution
Solve both equations
simultaneously

Initial conditions:
At z =0, P = P
in

At z = 0, x = 0

Special case:
When e =0, solve the first
equation and find P. Then
substitute for P in the second
equation and solve for x
( ) ( )
1
1
(1 ) (1 )
1 1

n n n n n
A in
n n
n n
in in
n
A in
n n
in in
F x P dx x P
kA
dz
P Q x x
F
where kA
P Q
|
c c
|

= =
+ +
=
( )
2 5
(1 )
32
where
f in in in in
dP x
dz P
f Q P Q
D
c
o

o
t
+
=
=
Example
Consider a gas phase reaction under isothermal conditions.
(Isomerization)
A B
P
in
= 10 atm, Q = 0.005 m
3
/s, T = 300 K, Pure A is fed, k =
0.1 lit/s, Molecular weight M = 60 g/gmol, Viscosity of the
gas = 10
-5
Pa-s

What should be the length of the PFR if it is constructed
(a) using a 2 cm pipe and the conversion desired is 10%? (b)
using a 1.5 cm pipe and the conversion desired is 10% and (c)
using a 1.5 cm pipe and the conversion desired is 20%
Solution
c= 0. This simplifies the equations
( )
2 5
(1 )
32
where
f in in in in
dP x
dz P
f Q P Q
D
c
o

o
t
+
=
=
1 dP
dz P
o =
2 2
2
in
P P z o =
3
24.0558 kg/m
in
in
P M
RT
= =
R=0.08206 atm-lit/(gmol-K)
15.9155 / Vavin m s =
0.003 f =
5
Re 7.65 10 =
2.0047 mol/s
Ain
F =
9 2
1.847 10 / Pa m o =
9
6.2832 10 1/ ( ) Pa m |

=
Dia = 2 cm


0 10 20 30 40 50 60 70 80 90 100
7
8
9
10
x 10
5
PFR length / m
P
r
e
s
s
u
r
e

/

P
a
c = 0
d = 2 cm
0 10 20 30 40 50 60 70 80 90 100
0
0.2
0.4
0.6
0.8
C
o
n
v
e
r
s
i
o
n
Conversion and Pressure vs distance
c = 0
d = 2 cm
Dia = 2 cm, expanded


0 2 4 6 8 10 12 14 16 18 20
9.6
9.7
9.8
9.9
10
x 10
5
PFR length / m
P
r
e
s
s
u
r
e

/

P
a
c = 0
d = 2 cm
0 2 4 6 8 10 12 14 16 18 20
0
0.05
0.1
0.15
0.2
C
o
n
v
e
r
s
i
o
n
Conversion and Pressure vs distance
c = 0
d = 2 cm
Dia = 1.5 cm
10% conversion is possible, but 20% is not
0 10 20 30 40 50 60 70
0
5
10
x 10
5
PFR length / m
P
r
e
s
s
u
r
e

/

P
a
c = 0
d = 1.5 cm
0 10 20 30 40 50 60 70
0
0.05
0.1
0.15
0.2
C
o
n
v
e
r
s
i
o
n
Conversion and Pressure vs distance
c = 0
d = 1.5 cm
2
nd
order reaction, k = 0.01
Coupled equations give correct answer
0 20 40 60 80 100 120 140 160 180 200
4
6
8
10
x 10
5
PFR length / m
P
r
e
s
s
u
r
e

/

P
a
c = 0
d = 2 cm
0 20 40 60 80 100 120 140 160 180 200
0
0.5
1
C
o
n
v
e
r
s
i
o
n
Conversion and Pressure vs distance
c = 0
d = 2 cm
0 1 2 3 4 5 6 7 8 9 10
0
5
10
x 10
5
PFR length / m
P
r
e
s
s
u
r
e

/

P
a
c = 0
d = 1 cm
0 1 2 3 4 5 6 7 8 9 10
0
0.1
0.2
0.3
0.4
C
o
n
v
e
r
s
i
o
n
Conversion and Pressure vs distance
c = 0
d = 1 cm
0 2 4 6 8 10 12
0
5
10
x 10
5
PFR length / m
P
r
e
s
s
u
r
e

/

P
a
c = -0.5
d = 1 cm
0 2 4 6 8 10 12
0
0.1
0.2
0.3
0.4
C
o
n
v
e
r
s
i
o
n
Conversion and Pressure vs distance
c = -0.5
d = 1 cm