REACTION ENGINEERING
CHAPTER
CONVERSION &
REACTOR SIZING
Dr. Reine Ghaleb
1
OUTLINE
Conversion
Batch Reactor Design Equation
Flow Reactors Design Equations
CSTR
PFR
PBR
Sizing Flow Reactors
Reactors in Series
Space Time
Space Velocity
2
1. CONVERSION
b c d
A+ B C+ D
a a a
Moles of A reacted
XA A-->B, Xmax,irr = 1
A⇌ B, Xmax,rev = Xe
Moles of A fed 3
Moles of A reacted
XA
1. CONVERSION Moles of A fed
X
N A0 N A
N A0
X
FA0 FA
FA0 4
2. BATCH REACTOR DESIGN EQUATION
Moles of A
reacted
X
N A0 N A
N A0
Moles of A reacted
[Moles of A reacted/consumed] = [Moles of A fed] · Moles of A fed
[Moles of A reacted/consumed] = [NA0]
· [X]
Moles of A in Moles of A that have
reactor at time t Moles of A initially
been consumed by
fed to reactor at
chemical reaction
[NA ] [NA0 ] t=0 [NA0 X]
NA N A0 (1 X)
2. BATCH REACTOR DESIGN EQUATION
Moles of A
reacted
X
N A0 N A
N A0
NA NA0 NA0 X [1]
Differentiating wrt time; dN A dX
0 N A0 [2]
dt dt
Recall mole balance for batch reactor (Chapter 1); dN A
rAV
dt
dN A
Rearranging and substituting rAV
into ; [2]
dt
dX
N A0 rAV [Design Equation in
dt terms of conversion]
2. BATCH REACTOR DESIGN EQUATION
Design Equation (in terms of conversion, X ):
dX
N A0 rAV [3]
dt
What is the time required to achieve a specific conversion?
Integrating [3] with limits (t=0, X=0; t=t, X=X )
X
dX
t N A0
0 rAV
2. BATCH REACTOR DESIGN EQUATION
For constant-volume batch reactor; V=V0
dN A
rAV [ Design eq. from Chapter 1]
dt
1 dN A d N A / V0
rA rA [Rearranging]
V0 dt dt
dC A [Re-write in terms
rA
dt of concentration]
8
Moles of A
reacted
3. FLOW REACTORS DESIGN EQUATION
X
FA0 FA
FA 0
Moles of A reacted/consumed = Moles of A fed
time time
· Moles of A reacted
Moles of A fed
= [FA0]
· [X]
Molar flow rate at
which A leaves the Molar rate at which A Molar rate at which A
system is fed to the system is consumed within the
system
[FA ] [FA0 ] [FA0 X]
FA F A0 (1 X)
3. FLOW REACTORS DESIGN EQUATION
FA FA0 FA0 X
FA0 C A0 0
C A0
Partial
Pressure
PA0 y P
C A0 A0 0
RT0 RT0
y P
F A0 0 C A0 0 A0 0
RT0
3.1 CSTR
Recall Design Equation for CSTR (Chapter 1);
FA 0 F A [1]
V
rA
Substituting FA FA0 FA0 Xinto [1]
FA 0 F A 0 F A0 X
V
rA
Rearranging;
FA0 X 11
V
rA
3.2 PFR
Recall Mole Balance for PFR (Chapter 1);
dFA
rA [1]
dV
We know that FA FA0 FA0 X[2]
Differentiating [2] wrt X
dFA
0 FA 0 dFA FA0 dX [3]
dX
Substituting [3] into [1]
12
dX
F A0 rA [4]
dV
3.2 PFR
dX
FA0 rA [4]
dV
Integrating [4] with limit V=0 when X=0;
X
dX
V FA 0
0 rA
13
3.3 PBR
Design equation for PBR;
dX
FA 0 rA'
dW
Similar to that of PFR
except these terms:
Catalyst weight ;
VW
X
dX -rA -r’A
W FA 0 '
0 rA
14
SUMMARY OF REACTOR MOLE
BALANCE
Reactor Differential Form Algebraic Form Integral Form
dX X
dX
Batch N A0 rAV t N A0
dt 0 rAV
FA0 X
CSTR - V -
rA
X
dX dX
PFR FA0 rA V FA0
dV 0 rA
X
dX dX
PBR FA 0 rA' W FA 0 '
dW 0 rA
4. REACTOR SIZING: CSTR & PFR
With a given –rA as a function of conversion, X, we can size
any type of reactor.
HOW???
Construct Levenspiel Plot
F /-r vs. X
A0 A
Volume of the reactors can be represented as the shaded
areas in the Levelspiel Plots:
16
4. REACTOR SIZING
Consider a first order reaction;
A plot of 1/-rA vs. X can be constructed;
17
4. REACTOR SIZING
Use plot of 1/-rA vs X
to size flow reactors
for different entering
molar flow rates, FA0
Important Notes (For Irreversible Rxn,Rxn A --> B+C):
1. If the reaction is carried out isothermally,
the rate is usually greatest at the start of the reaction, when the
concentration is greatest [when X≈0, 1/-rA is small (rA is big)].
2. As X --> 1, -rA --> 0, thus 1/-rA --> ∞, V--> ∞
An infinite reactor volume is needed to reach
18
complete conversion
4. REACTOR SIZING
Important Notes (cont):
Rxn A ⇌ B+C):
(For Reversible Rxn,
1. The max conversion is the equilibrium conversion, Xe.
2. At equilibrium, rA(net)≈ 0.
X --> Xe, -rA --> 0, thus 1/-rA --> ∞, V--> ∞
An infinite reactor volume is needed to reach Xe
19
FA0 X
4.1 REACTOR SIZING: SIZING A CSTRVCSTR
rA
EXAMPLE 1
20
EXAMPLE 1
Calculate the volume to achieve 80% conversion in a CSTR. Given, species A
enters the reactor at a molar flow rate of 0.4 mol/s.
SOLUTION:
1.Find –1/rA at X=0.8
1 1 m3 s
20
rA 0.8 0.05mol / m s
3
mol
2. Calculate V.
FA0 X
V
rA
mol 20m 3 s
0.4 0.8 6.4m 3 21
s mol
4.1 SIZING A CSTR
EXAMPLE 1 Levelspiel Plot:
X 0 0.1 0.2 0.4 0.6 0.7 0.8
rA 0.45 0.37 0.3 0.195 0.113 0.079 0.05
FA0/rA 0.89 1.08 1.33 2.05 3.54 5.06 8.00
22
X
dX
4.2 REACTOR SIZING: SIZING A PFRVPFR FA0
0
rA
Volume of a PFR can be calculated using integration
formulas:
Trapezoidal Rule (2-point)
Simpson’s One-Third Rule (3-point)
Simpson’s Three-Eighths Rule (4-point)
Five-Point Quadrature Formula
23
4.2 REACTOR SIZING: SIZING A PFR
Trapezoidal Rule (2-point):
X1
h
X f X dX 2 f X 0 f X 1
0
where h X 1 X 0
Simpson’s One-Third Rule (3-point):
X2
h
X f X dX 3 f X 0 4 f X 1 f X 2
0
X2 X0 24
where h X1 X 0 h
2
4.2 REACTOR SIZING: SIZING A PFR
Simpson’s Three-Eighths Rule (4-point):
X3
3
X f X dX 8 h f X 0 3 f X 1 3 f X 2 f X 3
0
X3 X0
where h X 1 X 0 h X 2 X 0 2h
3
Five-Point Quadrature Formula:
X4
h
f X dX f X 0 4 f X1 2 f X 2 4 f X 3 f X 4
X0
3
25
X4 X0
where h
4
4.2 SIZING A PFR
EXAMPLE 2
Calculate the volume to achieve 80% conversion in a PFR. Given, species A 26
enters the reactor at a molar flow rate of 0.4 mol/s.
4.2 REACTOR SIZING: SIZING A PFR
Recall the design equation of PFR:
X
dX
VPFR FA0
0
rA
For X=0.8,
0. 8
dX
VPFR FA0
0
rA
27
4.2 SIZING A PFR
EXAMPLE 2 Levelspiel Plot:
X 0 0.1 0.2 0.4 0.6 0.7 0.8
rA 0.45 0.37 0.3 0.195 0.113 0.079 0.05
FA0/rA 0.89 1.08 1.33 2.05 3.54 5.06 8.00
28
4.2 SIZING A PFR
Recall 5-Point Quadrature Rule:
X4
h
X f X dX 3 f X 0 4 f X1 2 f X 2 4 f X 3 f X 4
0
X4 X0
where h
4
Find h (∆X):
0.8 0
h 0.2
4
X 0 0, X 1 0.2, X 2 0.4, X 3 0.6, X 4 0.8 29
4.2 SIZING A PFR
EXAMPLE 2 Levelspiel Plot:
X 0 0.1 0.2 0.4 0.6 0.7 0.8
rA 0.45 0.37 0.3 0.195 0.113 0.079 0.05
FA0/rA 0.89 1.08 1.33 2.05 3.54 5.06 8.00
30
4.2 SIZING A PFR
Find V:
X FA0 FA0 FA0 FA0 FA0
V 4 2 4
3
A r ( X 0) rA ( X 0.2) rA ( X 0.4) rA ( X 0 .6 ) rA ( X 0.8)
Substituting the numerical values:
0.2
V 0.89 41.33 2 2.05 4 3.54 8.0 m3
3
2.165m 3
--> PFR with volume of 2.165 m3 is required 31
to reach 80% conversion
4.3 COMPARING VOLUME OF CSTR &
PFR
Difference btwn CSTR &
PFR volumes=4.235m3
32
4.3 COMPARING VOLUME OF CSTR &
PFR
VCSTR > VPFR for the same conversion & rxn condition.
WHY???
33
5. REACTORS IN SERIES
The exit stream of one reactor is fed to the next one
Total moles of A reacted up to po int i
Xi
Moles of A fed to the first reactor
FA0 FAi
Xi
FA0
34
FAi FA0 FA0 X i
5.1 CSTR IN SERIES
Reactor 1:
Mole Balance: (1)
In – Out + Generation = 0 (2)
FA0 – FA1 + rA1V1 = 0 [1]
The molar flow rate of A at point 1:
FA1 = FA0 – FA0 X1 [2]
Combining [1] & [2]:
1 35
V1 FA0 X 1
rA1
5.1 CSTR IN SERIES
Reactor 2:
Mole Balance: (1)
In – Out + Generation = 0 (2)
FA1 – FA2 + rA2V2 = 0 [3]
The molar flow rate of A at point 2:
FA2 = FA0 – FA0 X2 [4] Expressed in
eq [2] & [4]
Combining [3] & [4]:
FA 2 FA1 FA1 FA2
V2 [5]
36
rA2 rA 2
5.1 CSTR IN SERIES
FA1 = FA0 – FA0 X1 [2] (1)
FA2 = FA0 – FA0 X2 [4]
(2)
FA1 FA 2 [5]
V2
rA 2
Substituting [2] &[4] into [5];
FA0 FA0 X 1 FA0 FA0 X 2
V2
rA 2
FA0 X 1 FA0 X 2 FA0
X 2 X1 37
rA2 rA 2
5.1 CSTR IN SERIES
EXAMPLE 3
X 0.0 0.1 0.2 0.4 0.6 0.7 0.8
[FA0/-rA](m3) 0.89 1.08 1.33 2.05 3.54 5.06 8.0
For the two CSTRs in series, 40% conversion is achieved in the
first reactor. What is the volume of each of the two reactors
necessary to achieve 80% overall conversion of entering species?
38
EXAMPLE 3
X 0.0 0.1 0.2 0.4 0.6 0.7 0.8
[FA0/-rA](m3) 0.89 1.08 1.33 2.05 3.54 5.06 8.0
For reactor 1, X = 0.4
1
V1 FA0 X 1
rA1
FA0
X1 2.05m3 0.4 0.82m3
rA1 X 0.4
For reactor 2, X = 0.8 Total V= (0.82 + 3.2)m3
FA0 = 4.02 m3
V2 X 2 X1
rA 2 X 0.8
39
8.0m 0.8 0.4 3.2m
3 3
EXAMPLE 3
5.1 CSTR IN SERIES
Levenspiel Plot of CSTR in series
V1 V2
40
5.2 PFR IN SERIES
V1
X2 X1 X2
dX dX dX
0 FA0 rA 0 FA0 rA 0 FA0 rA V2
The overall conversion of two PFRs in series is the same as ONE
PFR with the same total volume.
V1, PFR V2, PFR
41
5.2 PFR IN SERIES
EXAMPLE 4
X 0.0 0.1 0.2 0.4 0.6 0.7 0.8
[FA0/-rA](m3) 0.89 1.08 1.33 2.05 3.54 5.06 8.0
Calculate the reactor volume V1 and V2 for the plug-flow sequence
shown below when the intermediate conversion is 40% & the
final conversion is 80%.
42
X 0.0 0.1 0.2 0.4 0.6 0.7 0.8
[FA0/-rA](m3) 0.89 1.08 1.33 2.05 3.54 5.06 8.0
Using Simpsons One-Third Rule;
X2
h
f X dX f X 0 4 f X 1 f X 2
X0
3
X2 X0
where h X1 X 0 h
2
For reactor 1, ∆X=0.2, X0 = 0, X1 = 0.2, X2 = 0.4
dX X FA0 FA0
0.4
FA0
V1 FA0 4
0
rA 3 rA 0 rA 0.2 rA 0.4
0.2
0.89 41.33 2.05 m3 0.551m3 43
3
X 0.0 0.1 0.2 0.4 0.6 0.7 0.8
[FA0/-rA](m3) 0.89 1.08 1.33 2.05 3.54 5.06 8.0
For reactor 2, ∆X=0.2, X0 = 0.4, X1 = 0.6, X2 = 0.8
dX X FA0 FA0
0.8
FA0
V2 FA0 4
0.4
rA 3 rA 0.4 rA 0.6 rA 0.8
0.2
2.05 4 3.54 8.0 m3 1.614m3
3
Total volume;
44
V V1 V2 0.551 1.614m 2.165m 3 3
5.3 COMBINATION OF
CSTR & PFR
V3,CSTR
V1,CSTR V2,PFR
X1 X2 X3
FA0 X 3 X 2
X2
FA0 X 1 FA0
V1 V2 dX V3
rA1 X1
rA2 rA3 45
5.4 REACTOR SEQUENCING
Which sequence is better to obtain the highest overall
conversion?
OR
The BEST sequence of reactors depend on
1.Levenspiel Plot 46
2.Reactor Size
Measures entering flow
rate at the entrance
condition
6. SPACE TIME
Space time/Mean residence time :
time taken for a fluid to either completely enter or
completely exit the reactor
V
Volume
0
Volumetric Flowrate Entering The Re actor
Eg: If V=0.2m3, v0= 0.01m3/s, what is τ?
47
Answer: τ = 20 s
7. SPACE VELOCITY, SV
Space velocity can be defined as:
0 1
SV
V
2 types of SV that is commonly used in industry:
Liquid-hourly space velocity (LHSV) –measures liquid
volumetric rate at 60°F or 75°F
Gas-hourly space velocity (GHSV)-measures gas volumetric
at standard temperature & pressure (STP)
48
SUMMARY
Conversion:
Batch reactor: Flow Reactors
X
N A0 N A
X
F A 0 FA
N A0 FA0
Design equation:
Batch: CSTR: PFR: PBR:
X X
dX F X X
dX dX
t N A0 V A0 V FA0 W FA 0
0 rAV rA '
0 rA 0 rA
Reactor in series:
Conversion: CSTR in series: PFR in series:
X out
FA0 FAi FA0 X out X in FA0
Xi
FA0
V
rA out
V
X in
rA
dX 49
EXERCISE
The irreversible gas-phase non-elementary reaction
A + 2B --> C
is to be carried out isothermally in a constant pressure batch reactor. The
feed is at a temperature of 227°C, a pressure of 1013 kPa, and its
composition is 30% A and 60% B. Laboratory data taken under
identical conditions are as follows :
-rA (mol/dm3.s) 0.00001 0.000005 0.000002 0.000001
X 0.0 0.15 0.3 0.6
(a) What is PFR volume necessary to achieve 30 % conversion for an
entering flow rate of 2 m3/min ? 50
EXERCISE
(a) What is PFR volume necessary to achieve 30 % conversion for an
entering flow rate of 2 m3/min ?
Given: y A0 0.3 v0 2m / min
3
P y P
We know that FA0 C A0 v0 and for gas phase: C A0 A0 A0 0
RT0 RT0
1. Find CA0
0.31013kPa
C A0 0.073mol / dm 3
8.314kPa dm3 / mol K 500.15K
2. Find FA0
min
FA0 C A0 v0 0.073mol / dm 2m / min
3
1000dm
3 3
3
2.43mol /51s
1m 60s
3. Calculate VPFR using Integration Rule
X
dX
V FA0
0 rA
EXERCISE
-rA (mol/dm3.s) 0.00001 0.000005 0.000002 0.000001
X 0.0 0.15 0.3 0.6
FA0/-rA (dm3) 243000 486000 1215000 2430000
Using Simpson One-Third Rule:
X2
h
f X dX f X 0 4 f X 1 f X 2
X0
3
X2 X0
where h X1 X 0 h
2
0 .3 0
h 0.15 X 0 0 X 1 0.15 X 2 0.3
2
dX X FA0 FA0
0.3
FA0
V FA0 4
0
rA 3 rA 0.0 rA 0.15 rA 0.3
0.15
243000 4 486000 1215000 170100dm3 170.1m3
3
EXERCISE
-rA (mol/dm3.s) 0.00001 0.000005 0.000002 0.000001
X 0.0 0.15 0.3 0.6
FA0/-rA (dm3) 243000 486000 1215000 2430000
(b) What is CSTR volume necessary to take the effluent from
PFR above and achieve 60% total conversion (based on
species A fed to the PFR)?
FA0=2.43 mol/s X=0.3
FA0 X out X in
VCSTR X=0.6
rA out
EXERCISE
FA0=2.43 mol/s X=0.3
FA0 0.6 0.3
VCSTR
rA out X=0.6
FA0
VCSTR 0.3
rA X 0.6
0.3 2430000dm 3
729000dm 729m 3 3 54
