Design of Reactor

By; Eko Ariyanto, ST., MChemEng

8 November 2007 (Week II)
dV r dX F
A A A
) (
0
=
PFR
dt
dX
N V r
A
A A 0
) ( =
Batch

t = C
A0
dX
A
(r
A
)
0
X
A
}
}

= =
A
X
A
A
A
r
dX
C
v
V
0
0
0
t
0 =
A
c
For constant density systems:
identical performance equation
the same V is needed to do the job
Single reactions design
batch / plug reactor / CSTR -

t =
V
v
0
=
C
A0
V
F
A0
=
C
A0
X
A
r
A
CSTR

F
A0
X
A
=(r
A
)V
We need a
comparative
study
Single reactions design
- CSTR (mixed) / plug reactor -
n
A
A
A
kC
dt
dN
V
r = =
1
General n
th
order rate equation:
3 0 = n
n
A
n
A A A
n
A A
A A
m
A
A
m
X
X X
kC r
X C
F
V C
) 1 (
) 1 ( 1
1
0
0
0
0

+
=

=
|
|
.
|

\
|
=

c
t
A A
A
A A
X
X
C C
c +

=
1
1
0

t
p
=
C
A0
V
F
A0
|
\

|
.
|
p
= C
A0
dX
A
r
A
0
X
A
}
=
1
kC
A0
n1
(1+c
A
X
A
)
n
dX
A
(1 X
A
)
n
0
X
A
}
mixed
plug
(1)
2)
Single reactions design
- CSTR (mixed) / plug reactor -

tC
A0
n1
( )
m
tC
A0
n1
( )
p
=
C
A 0
n
V
F
A0
|
\

|
.
|
m
C
A 0
n
V
F
A0
|
\

|
.
|
p
=
X
A
1+c
A
X
A
1 X
A
|
\

|
.
|
n




(

(
(
m
1+c
A
X
A
1 X
A
|
\

|
.
|
n
dX
A
0
X
A
}




(

(
(
p
0
0
0 A
A
F
VC
v
V
= = t
Dividing (1) / (2) and
0 =
A
c
Single reactions design
- CSTR (mixed) / plug reactor -

tC
A0
n1
( )
m
tC
A0
n1
( )
p
=
X
A
1 X
A
( )
n




(

(
(
m
1 X
A
( )
1n
1
n 1




(

(
(
p

tC
A0
n1
( )
m
tC
A0
n1
( )
p
=
X
A
1 X
A
|
\

|
.
|
m
ln(1 X
A
)
p
0 =
A
c
1 = n
1 = n
Single reactions design
- CSTR (mixed) / plug reactor -

t
( )
m
t
( )
p
=
V
m
V
p
=
X
A
1 X
A
( )
n




(

(
(
m
1 X
A
( )
1n
1
n 1




(

(
(
p
Plot for various X
A
and compare
the performance
For equal quantities (F
A0
) of
the same feed (C
A0
):
Single reactions design
- mixed reactor systems / 1
st
order rxn. -
(
(

|
|
.
|

\
|
= = 1
/ 1
0
N
N
i reactors N
C
C
k
N
Nt t
C
C
k
p
0
ln
1
= t
N
Series of N mixed
Plug flow
p
N
p
N
V
V
=
t
t
R A
Single reactions design
- plug reactor systems -

X
1
, X
2
,...X
N
Consider:
N plug flow reactors connected in series
Conversion of component A leaving reactor 1,2,3N

V
F
A0
=
dX
A
r
A
X
Ai
X
Af
}

V
i
F
A0
=
dX
A
r
X
i 1
X
i
}
for i
th
reactor

V
F
0
=
V
i
F
0 i=1
N

=
V
1
+V
2
+ ...V
N
F
0
=
dX
r
+
X
0
X
1
}
dX
r
+
X
1
X
2
}
... +
dX
r
X
N1
X
N
}
=
dX
r
X
0
X
N
}
N reactors in series
N plug reactor in series conversion = single plug reactor conversion
Design of parallel reactions
- product distribution -
A
Decomposition of A
1
1
a
A
R
R
C k
dt
dC
r = =
R
S
1
k
2
k
2
2
a
A
S
S
C k
dt
dC
r = =
2 1
2
1
a a
A
S
R
S
R
C
k
k
dC
dC
r
r

= =

2 1 2 1
, , , a a k k
ct. (specific system, given temp.)
adjust & control

A
C
(desired product)
(unwanted product)
maximise!!!
Design of parallel reactions
- product distribution -
A
Decomposition of A
1
1
a
A
R
R
C k
dt
dC
r = =
R
S
1
k
2
k
2
2
a
A
S
S
C k
dt
dC
r = =
2 1
2
1
a a
A
S
R
S
R
C
k
k
dC
dC
r
r

= =

2 1 2 1
, , , a a k k
ct. (specific system, given temp.)
adjust & control

A
C
(desired product)
(unwanted product)
maximise!!!
Design of parallel reactions
- adjusting C
A
-
C
A
low C
A
high
Mixed flow reactor
Maintaining high conversion
Increasing inerts in feed
Decreasing the pressure in
gas-phase systems
Batch / PFR
Maintaining low conversion
Removing inerts in feed
Increasing the pressure in
gas-phase systems
C
A
low or high?
2 1
2
1
a a
A
S
R
S
R
C
k
k
dC
dC
r
r

= =
Design of parallel reactions
- adjusting C
A
-
A
R
S
1
k
2
k
(desired)
(unwanted)
2 1
2
1
a a
A
S
R
S
R
C
k
k
dC
dC
r
r

= =
0
2 1
> a a
C
A
should be high
Batch / plug flow reactor small
size reactor
C
A
should be low
Mixed flow reactor large size
reactor
2 1
a a =
.
1
2
ct
k
k
dC
dC
r
r
S
R
S
R
= = = Product distrib. unaffected by C
A

0
2 1
< a a
Design of parallel reactions
- adjusting k
2
/k
1
-
A
R
S
1
k
2
k
(desired)
(unwanted)
2 1
2
1
a a
A
S
R
S
R
C
k
k
dC
dC
r
r

= =
2 ways:
Changing the temperature level of operation later!
Using a catalyst selectivity feature the most effective way!
Design of parallel reactions
- summary -
A
R
S
1
k
2
k
(desired)
(unwanted)
High reactant concentration favours the high order reaction
Low reactant concentration favours the lower order reaction
No effect of concentration reactions with the same order
1
1
a
A
R
R
C k
dt
dC
r = =
2
2
a
A
S
S
C k
dt
dC
r = =
Reactants concentration = key controlling variable:
Design of parallel reactions
- other parallel reactions -
B A+
R
S
1
k
2
k
(desired)
(unwanted)

r
R
=
dC
R
dt
= k
1
C
A
o
1
C
B
|
1
2 2
2
| o
B A
S
S
C C k
dt
dC
r = =
B A+
2 1 2 1
2
1
| | o o
= =
B A
S
R
S
R
C C
k
k
dC
dC
r
r
Maximise!!!
0
2 1
> o o 0
2 1
> | |
0
2 1
< o o 0
2 1
< | |
Design of parallel reactions
- contacting patterns -
Batch process
0
2 1
> o o
0
2 1
> | |
0
2 1
< o o
0
2 1
< | |
0
2 1
> o o
0
2 1
< | |
2 1 2 1
2
1
| | o o
= =
B A
S
R
S
R
C C
k
k
dC
dC
r
r
Design of parallel reactions
- contacting patterns -
Continuous process
0
2 1
> o o
0
2 1
> | |
0
2 1
< o o
0
2 1
< | |
0
2 1
> o o
0
2 1
< | |
2 1 2 1
2
1
| | o o
= =
B A
S
R
S
R
C C
k
k
dC
dC
r
r
Slide 19
Slide 25
Design of parallel reactions
- contacting patterns -
Example 1: For the following reactions:
B A+ T R +
U S +
1
k
2
k
(desired)
(unwanted)
3 . 0 5 . 1
1 B A
T R
C C k
dt
dC
dt
dC
= =
8 . 1 5 . 0
2 B A
U S
C C k
dt
dC
dt
dC
= =
B A+
Order the contacting schemes from most desirable to least desirable
Design of parallel reactions
- contacting patterns -
Example 1 Solution:

r
R
= k
1
C
A
1.5
C
B
0.3

r
S
= k
2
C
A
0.5
C
B
1.8

r
R
r
S
=
k
1
k
2
C
A
C
B
1.5
Maximise C
A
high, C
B
low (most important)
Design of parallel reactions
- fractional yield -

A R
Knowing the rate equations - we can determine the product distribution &
reactor size
Instantaneous fractional yield of R

=
moles R formed
moles A reacted
|
\

|
.
|
=
dC
R
dC
A
Overall fractional yield of R

u =
all R formed
all A reacted
|
\

|
.
|
=
C
Rf
C
A0
C
Af
=
C
Rf
(AC
A
)
=
in reactor
Selectivity

selectivity =
moles of desired product formed
moles of undesired material formed
|
\

|
.
|
Design of parallel reactions
- fractional yield for PFR / MFR -
PFR C
A
is changing through the reactor
C
Af
composition everywhere

u
p
=
1
C
A0
C
Af
dC
A
C
A0
C
Af
}
=
1
AC
A
dC
A
C
A0
C
Af
}
MFR

u
m
=
evaluated at C
Af

u
m
=
du
p
dC
A
|
\

|
.
|
at C
Af

u
p
=
1
AC
A
u
m
dC
A
C
A0
C
Af
}
PFR / MFR relationships
Design of parallel reactions
- fractional yield for series of MFR -
MFR in series Overall yield = sum (fractional yields) weighted by the
amount of reaction occurring in each vessel

u
N mixed
=

1
(C
A0
C
A1
) +
2
(C
A1
C
A2
) + ...+
N
(C
A,N1
C
A,N
)
C
A0
C
AN

C
Rf
= u(C
A0
C
Af
)
For any type of reactor:
Very useful!!!
Design of parallel reactions
- graphical representation of C
Rf
-

u
p
=
1
AC
A
dC
A
C
A0
C
Af
}

C
Rf
= u(C
A0
C
Af
)

u
m
=
evaluated at C
Af

C
Rf
= u(C
A0
C
Af
)

C
Rf

C
Rf

C
Rf

u
N mixed
=

1
(C
A0
C
A1
) + ...+
N
(C
A,N1
C
A,N
)
C
A0
C
AN

C
Rf
= u(C
A0
C
Af
)
Design of parallel reactions
- graphical representation / types of flow -
Which type of flow gives the best product distribution?
Mixed flow is
best
Plug flow is best
Mixed up to C
A1

follow by plug
flow
the largest area
Design of parallel reactions
- product distribution -
Example 2: Consider the aqueous reactions:
(desired)
(unwanted)
C
Rf
=?
B A+
1
k
2
k

S

R

dC
R
dt
=1.0C
A
1.5
C
B
0.3

dC
S
dt
=1.0C
A
0.5
C
B
1.8
Equal volumetric flow rates of A and B
Each stream has C=20 mol/l of reactant
90% conversion of A
Design of parallel reactions
- product distribution -
Example 2 Solution:

R
A
|
\

|
.
|
=
dC
R
dC
R
+ dC
S
=
1.0C
A
1.5
C
B
0.3
1.0C
A
1.5
C
B
0.3
+1.0C
A
0.5
C
B
1.8
=
C
A
C
A
+ C
B
1.5
}

= u
Af
A
C
C
A
Af A
p
dC
C C
0
0
1

a) Plug Flow
) 1 (
0 A A Af
X C C =
B A+
1
k
2
k

S

R
} }
+
=
+

= u
10
1
5 . 0
1
10
5 . 1
1 9
1
1 10
1
A
A
A A
A A
p
C
dC
C C
dC C
B A
C C =
Design of parallel reactions
- contacting patterns -
Example 2 Solution:

u
p
=
1
9
dC
A
1+ C
A
0.5
1
10
}

C
A
0.5
= x C
A
= x
2

dC
A
=2xdx

u
p
=
1
9
2xdx
1+ x
1
10
}
=
2
9
dx
dx
1+ x
1
10
}
1
10
}



(

(
= 0.32

C
Rf
= u(C
A0
C
Af
) = 9(0.32)
l mol C
Rf
/ 86 . 2 =

C
Sf
= (1u)(C
A0
C
Af
) = 9(10.32)
l mol C
Sf
/ 14 . 6 =
Design of parallel reactions
- contacting patterns -
Example 2 Solution:
l mol C
Rf
/ 5 . 4 =
l mol C
Sf
/ 5 . 4 =
b) Mixed Flow

u
m
=
evaluated at C
Af
5 . 0
1
1
5 . 0 5 . 1
=
+
=
+
=
A B A
A
exit
C C C
C

B A
C C =
) 5 . 0 ( 9 ) (
0
= u =
Af A Rf
C C C
) 5 . 0 1 ( 9 ) )( 1 (
0
= u =
Af A Sf
C C C
Design of parallel reactions
- contacting patterns -
Example 2 Solution:
l mol C
Rf
/ 85 . 7 =
l mol C
Sf
/ 15 . 1 =
c) Plug flow A Mixed flow B
) 87 . 0 ( 9 ) (
0
= u =
Af A Rf
C C C
) 87 . 0 1 ( 9 ) )( 1 (
0
= u =
Af A Sf
C C C
}

= u
Af
A
C
C
A
Af A
p
dC
C C
0
0
1

87 . 0
1 18
1
) 1 ( 18
1
1 19
1
19
1
19
1
1
19
5 . 1
1
19
5 . 1
=
(

+
=
+
=
+

= u
} } } }
A
A
A
A
A A
B A
A A
p
C
dC
dC
C
dC C
C C
dC C
Design of parallel reactions
- contacting patterns -
Example 2 Solution:
Summary
Plug Flow:
Mixed Flow:
Plug A / Mixed B
( ) 32 . 0 = u A R
( ) 5 . 0 = u A R
( ) 87 . 0 = u A R
l mol C
Rf
/ 86 . 2 =
l mol C
Rf
/ 85 . 7 =
l mol C
Rf
/ 5 . 4 =