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Chemical Reactor Design Chemical Reactor Design: Y W L Youn-Woo Lee
Chemical Reactor Design Chemical Reactor Design: Y W L Youn-Woo Lee
Y
Youn-Woo
W L Lee
School of Chemical and Biological Engineering
Seoul National University
y
155-741, 599 Gwanangro, Gwanak-gu, Seoul, Korea [email protected] http://sfpl.snu.ac.kr
第2章
Conversion
and Reactor Sizing
g
化學反應裝置設計
Define conversion.
Write the mole balances in terms of conversion
for a batch reactor, CSTR, PFR, and PBR.
Size
Si reactors either
i h alone
l or in
i series
i once given
i
the molar flow rate of A, and the rate of reaction,
- rA, as a function of conversion, X.
aA bB cC dD (2 1)
(2-1)
Choose A as our basis of calculation
(The basis of calculation is most always the limiting reactant )
b c d
A B C D (2-2)
a a a
Q
Questions
- How can we quantify how far a reaction has progressed ?
- How many moles of C are formed for every mole A consumed ?
l off A reacted
mole d
X
mole of A fed
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2.2 Batch Design Equations
In most batch reactors,
the longer a reactant is in the reactor, the more reactant is converted to
product the reactant is exhausted.
exhausted Consequently,
Consequently in batch system,
system the
conversion X is a function of reaction time the reactants spend in the
reactor.
If NA0 is the number of moles of A initially in the reactor, then the total
number of moles of A that have reached after a time t is [NA0 X]
mole of A mole of A moles of A reacted
consumed fed mole of A fed
mole of A
(2-3)
consumed N A0 X
The number of moles of A that remain in the reactor after a time t, NA, can be
express in terms of NA0 and X:
moles of A moles of A moles of A that
in t initially t have consumedd (2-4)
i reactor i iti ll fed
f d to h b
been
at time t reactor at t 0 by chemical reaction
N A N A0 N A0 X
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2.2 Batch Design Equations
The mole balance on species A for a batch system
dN A
rAV (1-5)
dt
The number of moles of A in the reactor after a conversion X
N A N A0 N A0 X N A0 (1 X ) (2-4)
dN A dX
0 N A0
dt dt
Th design
The d i equation
ti for
f a batch
b t h reactor
t ini differential
diff ti l form
f is
i
dX
The differential form
for a batch reactor
N A0 rAV (2-5)
dt
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2.2 Batch Design Equations
dN A
rAV (2 5)
(2-5)
dt
dX
N A0 rAV (2-6)
dt
dN A
rAV
dt
Constant volume, V=V0
1 dN A 1 dN A d N A / V0 dC A
rA
V dt
d V0 dt
d d
dt d
dt
dC A
rA (2-7)
(2 7)
dt
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2.2 Batch Design Equations
The design
g equation
q for a batch reactor in differential form
dN A dX
rAV (2-5) N A0 rAV (2-6)
dt dt
1 dN A d N A / V0 dC A
rA CA
NA
V0 dt dt dt V0
For the most common batch reactors where volume is not predetermined
function of time, the time necessary to achieve a conversion X is
X t dX
The integral form
t N A0
for a batch reactor 0 rAV
FA0 FA
Rearranging gives
FA FA0 1 X (2-10)
FA0 FA
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2.3.1 CSTR or Backmix Reactor
FA0
- The design equation for a CSTR
FA0 FA FA
V (2-11)
rA A
b
a
B
c
a
d
C D
a
FA0 X
V design equation
rA exit (2-13)
for a CSTR
FA FA0 FA0 X
dX
FA0 rA (2 15)
(2-15)
dV
- Volume to achieve a specified conversion X
X dX
V FA0 (2-16)
0 rA
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2.3.3 Packed-Bed Reactor (PBR)
FA0 FA
dX
FA0 rA' (2-17)
dW
-The
Th catalyst
l weight
i h W to achieve
hi a specified
ifi d conversion i h P=0
i X with P 0
X dX
W FA0 (2-18)
0 rA'
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Summary of Design Equation
X t dX
t N A0 Design equation
NA0 0 rAV f a batch
for b h reactor
FA0 FA0 X
V Design equation
rA exit for a CSTR
FA
X dX
FA0 FA V FA0 Design
D i equation
ti
0 rA for a PFR
X dX Design equation
FA0 FA W FA0 for a PBR
0 rA'
공통점?
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Summary of Design Equation
Reaction time
X t dX
t N A0 ~ NA0
0 rAV
~X
~ 1/rAV
FA0 FA0 X
V
rA exit
FA
Reactor volume
X dX ((Catalyst
y weight)
g )
FA0 FA V FA0
0 rA
~ FA0
~X
X dX
FA0 FA W FA0 ~ 1/rA’
0 rA'
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2.4 Applications of the design equation
for continuous
continuous-flow
flow reactor
The rate of disappear of A, -rA, is almost always a function of the
concentrations of the various species present. When a single reaction
is occurring, each of the concentrations can be expressed as a
function of the conversion x; consequently,
consequently -rrA, can be expressed as
a function of X.
X dX
FA0 FA V FA0
0 rA
-rA (mol/m3s)
0.3
Smallest rate
0.2
0.1
0.0
0.0 0.2 0.4 0.6 0.8 1.0
Conversion, X
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Levenspiel Plot
- ratee data
d convert
co ve reciprocal
ec p oc rates,
es, 1/-
/ rA
- plot of 1/- rA as a function of X
30
25
Small rate
1/-rA (m3s/mol)
20
15
Greatest rate
10
0
0.0 0.2 0.4 0.6 0.8 1.0
Conversion, X
12
10
Table 2-3
8
FA/--rA (m )
3
6
0
0.0 0.2 0.4 0.6 0.8 1.0
C
Conversion
i
F A0
For vs. X, the volume of a CSTR and the volume of a PFR
rA
can be represented as the shaded areas in the Levenspiel plots.
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Example 2-2 Sizing a CSTR
The reaction described by the data in Table 2-3 (below)
A B
is to be carried out in a CSTR. Species A enters the reactor at a molar
flow rate of 00.4
4 mol/s
mol/s.
(a) Using the data in Table 2-3, or Fig. 2-1, calculate the volume
necessary to achieve 80% conversion in a CSTR
CSTR.
(b) Shade the area in Fig. 2-2 that would give the CSTR volume
necessary to achieve
hi 80% conversion.
i
Table 2-3
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Example 2-2 Sizing a CSTR
Calculate the volume necessary to achieve 80% conversion in a CSTR
FA0=0.4 mol/s
FA 0 X moll m3 s
(a) V ( 0 .4 )(0.8)(20 ) 6.4m 3 6400l
rA exit s mol
3.6m
FA
(b ) 1.5m
12
10
m3)
FA/-rA (m
6
VCSTR
4 = 8 x 0.8
EXIT 2
= 6.4 m3
In CSTR, C, T, P, and X of the effluent
0
stream are identical to that of the fluid
fl id 0.0 0.2 0.4 0.6 0.8 1.0
within the reactor, because perfect mixing is
Conversion
assumed. Seoul National University
Example 2-2 Sizing a CSTR
The volume necessary to achieve 80% conversion in a CSTR is 6.4m3.
3.6m
2.01m
FA FA
1.5m 2.01m
It’s a large CSTR, but this is a gas-phase reaction, and CSTRs are
normally not used for gasgas-phase
phase reaction,
reaction and CSTRs are used
primarily for liquid-phase reactions.
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Example 2-3 Sizing a PFR
Calculate the volume necessary to achieve 80% conversion in a PFR.
We shall use the five point quadrature formula (A-23) in Appendix A.4.
FA0 0 . 4 mol / s
X 0.8
FA0 dX
V
0 rA
X FA 0 4 FA 0 2 FA0 4 FA0 FA 0
3 rA ( X 0) rA ( X 0.2) rA ( X 0.4) rA ( X 0.6) rA ( X 0.8)
0.2 0.2
0.89 4(1.33) 2(2.05) 4(3.54) (8.00) m (32.47 m ) 2.165m
3 3 3
3 3
165 m3
V = 22.165
= 2165 dm3
Graphic Method 12
X 0.8 10 FA0 FA
FA0
V 0 rA
dX
8
FA0/-rA (m )
3
= area under the curve 6
between X=0 and X=0.8
4
Conversion
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Example 2-3 Sizing a PFR
Sketch the profile of –rA and X down the length of the reactor.
A0 F A F
Solution
S l ti
As we proceed down the reactor and more and more of reactant is
consumed the concentration of reactant decreases,
consumed, decreases as does the
rate of disappearance of A. However, the conversion increases as
more and more reactant is converted to product.
p
Simpson’s rule (Appendix A.4 Eq. A-21)
X=0.2, X=0.1
X 0.2 X FA 0 4 FA0 FA 0
dX
V FA0
0 rA 3 rA ( X 0) rA ( X 0.1) rA ( X 0.2)
0.1 3 0.1
0.89 4(1.08) 1.33 m (6.54m 3 ) 0.218m 3 218dm 3
3 3
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Example 2-3 Sizing a PFR
Sketch the profile of –rA and X down the length of the reactor.
FA0 FA
S l ti
Solution
Simpson’s rule (Appendix A.4 Eq. A-21)
X=0.4, X=0.2
X 0.4 X FA 0 4 FA 0 FA 0
dX
V FA 0
0 rA 3 rA ( X 0) rA ( X 0.2) rA ( X 0.4)
0.2 3 0.2
0.89 4(1.33) 2.05 m (8.26m 3 ) 0.551m 3 551dm 3
3 3
X 0.6 X FA 0 4 FA 0 FA 0
dX
V FA 0
0 rA 3 rA ( X 0) rA ( X 0.3) rA ( X 0.6)
0.3 3 0.3
0.89 4(1.625) 3.54 m (10.93m 3 ) 1.093m 3 1093dm 3
3 3
X 0.8 X FA 0 4 FA 0 FA0
dX
V FA 0
0 rA 3 rA ( X 0) rA ( X 0.4) rA ( X 0.8)
0.4 3 0.4
0.89 4(2.05) 8.0 m (17.09m 3 ) 2.279m 3 2279dm 3
3 3
Sketch the profile of –rA and X down the length of the reactor.
V (dm3) 0 218
8 551
55 1093
093 2279
9
Sketch the profile of –rA and X down the length of the reactor.
V=1093 L V=2165 L
X=0.6 X=0.8
1.0
V=551 L
0.8
X=0.4
0.6
X 0.4
V=218
V 218 L
X=0.2 0.2
00
0.0
Sketch the profile of –rA and X down the length of the reactor.
0.5
04
0.4
0.3
-rA
0.2
(mol/m3s)
0.1
0.0
0.0 0.5
0.2 1.0
0.4 1.5
0.6 2.0
0.8 2.5
1.0
X 3)
V (m
V=2.2 m3 V=6.4 m3
10
8
FA/-rA (m )
3
6
For isothermal reaction of
greater than zero order, the
4
PFR will always require a
2 smaller
ll volume
l th the
than th CSTR
0
to achieve.
0.0 0.2 0.4 0.6 0.8 1.0
Conversion
V=2.2 dm3
The isothermal CSTR volume is
FA0 FA usually greater than the PFR
volume is that the CSTR is
0.5 always operating at the lowest
reaction rate (-rA=0.05).
=0 05)
0.4
The PFR start at the higher rate
at the entrance and gradually
0.3 decreases to the exit rate,
thereby requiring less volume
-rA because the volume is inverselyy
0.2 proportional to the rate.
FA0
0.1
00
0.0 FA
0.0 0.2 0.4 0.6 0.8 1.0
V=6.4 dm3
X Seoul National University
Laboratory and Full-scale operating conditions must be identical.
-If we know the molar flow rate to the reactor and the reaction rate as a function
of conversion
conversion, then we can calculate the reactor volume necessary to achieve a
specific conversion.
-However,
H the
h rate ddoes not ddepend
d on conversion
i alone.
l It
I iis also
l affected
ff d by
b the
h
initial concentrations of the reactants, the temperature, and the pressure.
-Consequently, the experimental data obtained in the laboratory are useful only in
the design of full-scale reactors that are to be operated at the same conditions as
the laboratory
y experiments
p (T,
( , P,, CA0)).
-Usually,
Usually such circumstances are seldom encountered and we must revert to the
methods described in Chapter 3 to obtain –rA as a function of X.
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To size flow reactor, only need -rA=ƒ(X),
if it can be
b generated
t d by
b some intermediate
i t di t calculations,
l l ti
In Step 1,
1 we will find the rate law that gives the rate as a function
of concentration and in Step 2, we will find the concentrations as a
function of conversion. Combining Step 1 and 2 in Chapter 3, we
obtain -rA=ƒ(X).