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OBJECTIVES
Students should be able to:
Describe the algorithm that allows the reader to solve chemical reaction
engineering problems through logic rather than memorization.
Size batch reactors, CSTRs, PFRs, and PBRs for isothermal operation given the
rate law and feed conditions.
Account for the effects of pressure drop on conversion in packed bed tubular
reactors.
START
1. The general
mole equation
Algorithm for
Isothermal Reactor
END
2. Design Equations:
Batch
CSTR
PFR
3. Is
rA=f(X)
given?
YES
NO
Evaluate the
algebraic (CSTR)
or integral (PFR)
equations
AB
Step 1: Write the mole balance
dX
N A0
rAV
dt
Step 2: Write the rate law
rA kC A2
C A C A 0 1 X
AB
Step 4: Combine equation from step 1,2,3
dX
2
kC A0 1 X
dt
Step 5: Evaluate
t
1
0 dt kC A0
1
t
kC A0
dX
0 1 X 2
1 X
Rate Law
N A0
dX
rAV
dt R
First order
Second order
rA kC A
Stoichiometry
Combine
Evaluate
(integrate)
CA
rA kC A2
NA
C A 0 1 X
V0
dX
k 1 X
dt R
tR
1 1
ln
k 1 X
dX
2
kC A0 1 X
dt R
1 X
tR
kC A0 1 X
AB
To reach 90% conversion in a constant-volume batch
reactor scales:
1 1
t R ln
k 1 X
1
1
ln
k 1 0 .9
if k = 10-4 s-1
tR
2.3
23000 s 6.4h
4 1
10 s
( rA ) exit
V v0C A0 X C A0 X
v0
rAv0
rA
where is the space time
C A C A 0 1 X
1 X
k 1 X
Rearranging;
k
X
1 k
k is often referred to as
Damkhler number (for
1st order)
1 X
k 1 X
Rearranging;
k
X
1 k
Damkhler number
Is the ratio of the rate of reaction of A to the rate of
convective transport of A at the entrance to the
reactor.
rA0V
Da
rate of reaction at entrance
FA0
entering flow rate of A
For first order irreversible reaction;
r V kC V
Da A0 A0 k
FA0
v0C A0
For second order irreversible reaction;
rA0V kC A2 0V
Da
kC A0
FA0
v0C A0
rA0V
Da
FA0
If Da 0.1, X < 0.1
If Da 10, X > 0.9
If first degree order, Da = k
If second degree order, Da =kCA0
Rule of thumb
1
X 1
n
(1 k )
For CSTRs in parallel, conversion is:
k
X
1 k
A B catalyst
C
FA0
FC 6.137
lbmol
7.67
X
0.8
min
FAO X
V
( rA ) exit
STEP 2: Rate Law
rA kC A
STEP 3: Stoichiometry (Liquid phase, v = v0 )
C A C A 0 1 X
STEP 4: Combining;
FA0 X
v0 X
V
(rA ) exit k (1 X )
v0VV
STEP 5: Evaluate
The entering volumetric flowrate of stream A, with CA01 = lb mol/ft3 before
mixing is;
v A0
7.67
3
C A01
1lbmol / ft
min
vB 0 v A0
v0 v A0 vB 0
ft 3
7.67 7.67 15.34
min
FA0 X
v0 X
ft 3
0.8
3
V
15.34
197
.
3
ft
( rA ) exit k (1 X )
min 0.311 min 1 1 0.8
v0 X
k (1 X )
V
X
v0 k (1 X )
X
k (1 X )
k
Da
(1 k )
(1 Da)
X
(1 X )
k
Da
(1 k ) (1 Da)
V
1 ft 3
1
800 gal
13.94 min
3
v0
7.48 gal 7.67 ft / min
Da k 13.94 min 0.311 min 1 4.34
4.34
0.81
(1 4.34)
1
X 1
(1 k ) n
V
1 ft 3
1
800 gal
6.97 min
3
v0
7.48 gal 15.34 ft / min
Da k 6.97 min 0.311 min 1 2.167
1
X 1
0.90
2
1 2.167
4.3 PFR
Assume no dispersion and no radial gradients in
either temperature, velocity, or concentration and in
the absence of pressure drop or heat exchange.
STEP 1: Write the mole balance of PFR:
X
V FA0
0
dX
rA
rA kC
2
A
4.3 PFR
STEP 3: Write concentration in terms of conversion
(from stoichiometry)
C A C A 0 1 X
1 X
C A C A0
1 x
v0 X
dX
0 1 X 2 kC A0 1 X
Rearranging,
FA0
V
kC A2 0
v
0
kC A0
kC A0
Da2
1 kC A0 1 Da2
1 X 2 dX
0 1 X 2
X
(1 ) 2 X
2 (1 ) ln(1 X ) X
1 X
dX
FA0
rA
dV
mole balance
No heat exchange
V FA0
dX
rA
rA kC A2
rate laws
Stoichiometry
C A C A0 (1 X )
FA0
V 2
kC A0
combination
or
dX
v0C A0 X
2
2
1 X kC A0 1 X
kC A0
Da2
X
1 kC A0 1 Da2
Damkhler number for 2nd-order reaction
mole balance
rate laws
Stoichiometry
combination
dX
FA0
rA
dV
No pressure drop
No heat exchange
V FA0
dX
rA
rA kC A2
FA0 (1 X )
FA
FA
(1 X )
CA
C A0
v v0 (1 X ) v0 (1 X )
(1 X )
2
1 X
V FA0
dX
2
2
0
kC A0 1 X
X
v0
V
kC A0
X
2
2 (1 ) ln(1 X ) X
1 X