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Objectives
Describe the algorithm that allows the reader to
solve chemical reaction engineering problems
through logic rather than memorization.
Sizing batch reactors, semi-batch reactors, CSTRs,
PFRs, and PBRs for isothermal operation given the
rate law and feed conditions.
Studying a liquid-phase batch reactor to determine
the specific reaction rate constant needed for the
design of a CSTR.
Design of a tubular reactor for a gas-phase reaction.
Account for the effects of pressure drop on
conversion in packed bed tubular reactors and
in packed bed spherical reactors.
The principles of unsteady operation and semi-batch
reactors.
Fig. 5-1
Isothermal
Reaction
Design
Algorithm
for Conversion
Fi
FA 0 i vi X
Ci
v v0 (1 X )( P0 / P )(T / T0 )
(4-18)
i vi X
C i C A0
1 X
P To
P0 T
FA 0
- rate law
dX
rA
dW
gmoles
g catalyst min
rA kCA2
-from stoichiometry for gas-phase reactions
1 X
C A C A0
1 X
P T0
P0 T
1 X P T0
rA k C A0
X
P
T
(5-20)
FA 0
Dividing by FA0
dX
C A0 (1 X )
k
dW
1
dX kCA0
dW
v0
P
0
1 X P
X
P
and pressure
dX
f ( X , P)
dW
(5-21)
P f (W )
dz
g c D p
150 (1 )
1.75G
Dp
laminar
(4-22)
turbulent
0 m
m
m
o = m
0 v0 v
- steady state the mass flow rate at any point is equal to the entering
mass flow rate
Gas-phase volumetric flow rate
P
v v0 0
P
Then,
T
0
FT
F
T0
v0
P T0 FT 0
0
v
P0 T FT
(3-41)
(4-23)
dP
G (1 )
dz
0 g c D p 3
Simplifying
We need
150 (1 )
P0 T FT
1.75G
Dp
P T0 FT 0
P0 T FT
dP
dz
P T0 FT 0
(4-24)
G (1 ) 150 (1 )
0
1.75G
3
Dp
0 g c D p
dP
dW
(4-25)
(1 ) Ac z c
Volume of
solid
dW
Density of
solid catalyst
c (1 ) Ac dz
(4-26)
Simplifying
Let y=P/Po
0
P0 T FT
dP
dW
Ac (1 ) c P T0 FT 0
dP
T P0
dW
2 T0 P / P0
FT
F
T0
(4-27)
P0T
dP
dy T F
(1 X )
2y
To
dW
2 T0 P F
/P
0
(4-28)
2 0
Ac c (1 ) P0
(4-29)
F
FT FT 0 FT 0 X FT 0 1 A0 X
FT 0
FT
1 X
FT 0
FA0
y A0
FT 0
(1+X)(1 X )
2y
dW
2 T0 P / P0
(4-30)
< 0, the pressure drop (DP) will be less than that for = 0
> 0, the pressure drop (DP) will be greater than that for = 0
For isothermal operation
dP
f ( X , P)
dW
and
dX
f ( X , P)
dW
(4-31)
(1+X)(1 X )
2y
dW
2 T0 P / P0
(4-30)
Analytical Solution
If = 0 or X 1, we can obtain an analytical solution to Eq. (4-30) for isothermal
operation (i.e., T=T0). For isothermal operation with = 0, Eq. (4-30) becomes
dy
dP
P0
2y
dW
2 ( P / P0 )
Isothermal (T=To)
with = 0
dy
2y
dW = -
y2= 1- w
dy2
dW = -
P
1 W
y=
P0
(4-33)
2 0
Ac (1 ) c P0
Pressure as a
function of
reactor length, z
(1 ) Ac z c
(4-26)
y=
2 z
P
1 0 =f (z)
P0
P0
(4-34)
dL
dL
D
P dP
2 fG 2
2 dP
0
G
0
P0 dL
PdL
D
P02 P 2
P
P
L
G2 0 2 f
ln 0
2
0
D
P
Rearranging, we get
P0
1 pV
P
4 fG 2
p
0 P0 Ac D
Mole balance:
F A0
dX kCA2 0
(1 X ) 2 1 W 1/ 2
dW
FA0
dX
rA
dW
Rate law:
C A C A0 (1 X )
FA0
kCA2 0
dX
(1 X )
1 W dW
at X 0, W 0 and FA0 C A0 v0
rA kCA2
y=
Combining
P
P0
P
1 W
P0
C A C A0 (1 X )(1 W )1/ 2
v0 X
W
W 1
2
kCA0 1 X
kCA0W
W
1
v0
2
X
kC W
W
1 A0 1
v0
2
(4-38)
v0
2
X
kC W
W
1 A0 1
v0
2
(4-38)
(4-39)
Paraffin
Aromatic + 3 H2
Spherical reactor
- minimize pressure drop
- inexpensive
- the most economical shape for high
pressure
H2, C2H4
C2H6 C2H4 + H2
C2H6
separator
Ag
C2H4+ O2 C2H4O
6
C2H4O
3
4
separator
H2O
C2H4
C2H4O(aq)
9
V=197 ft3, X=0.8
absorber
Cat.
C2H4O + H2O
CH2OH
CH OH
200 million
lb EG/yr
Air
b
c
d
B C D
a
a
a
rC rD
rA
rB
a b c
d
rA k AC A C B
Liquid Phase
dC A
rA
dt
dC B b
rA
dt
a
CSTR
v0 (C A0 C A )
V
rA
v0 (C B 0 C B )
V
(b / a )rA
PFR
dC A
v0
rA
dV
dC B b
v0
rA
dV
a
PBR
dC A
v0
rA
dW
dC B b
v0
rA
dW
a
Gas Phase
For gas phase reactions
need to be expressed in terms of the molar flow rates
dF j
dV
rj
(1-11)
y
F j P T0
C j CT 0
FT P0 T
dy
- FT
=
dW
2y FTo
(3-42)
(4-28, T=To)
FT
F
j 1
= FA + FB + FC + FD + FI
CSTR
PFR
dN A
rAV
dt
FA 0 FA
V
rA
dFA
rA
dV
dN B
rBV
dt
F FB
V B0
rB
dFB
rB
dV
dN C
rCV
dt
F FC
V C0
rC
dFC
rC
dV
dN D
rDV
dt
F FD
V D0
rD
dFD
rD
dV
rA
k AC A C B
Stoichiometry:
Relative rate of reaction:
r
rA
r
r
B C D
a b c
d
b
rB rA
a
Concentration:
c
rC rA
y a
d
rD rA
a
C A CT 0
FA P T0
FT P0 T
C B CT 0
FB P T0
FT P0 T
CC CT 0
FC P T0
FT P0 T
C D CT 0
FD P T0
FT P0 T
FT FA FB FC FD
k ACT 0
dV
FT
dFC c
FA
k ACT 0
dV
a
FT
FB
FT
FB
FT
dFB
b
FA
k ACT 0
dV
a
FT
dFB d
FA
k ACT 0
dV
a
FT
FB
FT
FB
FT