Department of Chemical Engineering

CHE 321: Chemical Reaction Engineering

Week 2

Conversion and Reactor Sizing

CHE 321 1
 Subjects covered in Week 2
• Review of Week 1 w
• Definition of Conversion, X
• Develop the Design Equations in terms of X
• Size CSTRs and PFRs given –rA= f(X)
• Conversion for Reactors in Series
in the
industry:
series
reactors in
conversion
for more
FA
⑥
InA
LeFA
↳

CHE 321 2
 Define conversion, X
Consider the generic reaction: we
always design
based on the

limiting components
aA bB cC dD

Chose limiting reactant A as basis of calculation:

b c d ring.
A
a
B
a
C
a
D divideeverythi
->

n g
Define conversion, X on
- limit
-

moles A reacted
XA
↓n moles A fed
conversion

For sake of brevity: X XA

CHE 321 3
Limiting Reactant
combustionfee 50 mol CH4
we
getotherformed one
Ci. oxygen & air.
Reactor
en
150 mol O2 <al.nitrog
7
600 mol N2 fraction
->

mass

1CH4 + 2O2 → CO2 + 2H2O

in

oxygen tow
combus
givcompl
e etethe
to

Nh
always
excessse S we
luced. O2 is excess; CH4 is limiting
happens be pro
CHE 321 4
 Conversion…

Batch Flow

of moles
molesreactedare
#
consumed
-
->

NAO X
NAO-NA
=
↓

CHE 321 5
 Batch Design Equation
elemen
no flow in or out -> fant
consume
Starting
with

Naru' wt
e E
Integrate

Differential from
of the design
⑧ take
the

Youcantretractor
i
O
start

equation for a
well-mixed
batch reactor
CHE 321 6
 changesare
For a constant volume batch reactor, V=Vo;
moving
r
roofeactor
one
batch
From mole balance; ->

dN A
-
sout
rAV bew
no
in

Knowing that;
-
dt remem
m

NA
CA CAV.
V NA
=

AAA d
Thus; =

dN A dC AV
rAV
V
=VA
dt dt
1 dN A dC A
rA
V dt dt

CHE 321 7
 CSTR Design Equation
FAo -FAo(1-X
Starting
with
FA0(1-(1 x) -

FA(y-y x) +

-
- =

ps of unirmity.
FAOX
)
isunitehere thing
supposed seeang
to rate

->
- batch)
(CSTR
the
to

Source: HSF

CHE 321 8
 PFR Design Equation
Starting
with
know
to
need terms
you
Integrate ↓ nortowpitinnexam)
4
of

I
Differential form of Integral form of the
the design equation design equation for
for a PFR reactor a PFR: volume
necessary to achieve
a conversion of X

CHE 321 9
 PBR Design Equation
of
writetop-
Starting ob
with

Integrate

&
Differential form of the design Integral form of the
equation for a PBR reactor design equation for
a PBR: volume
necessary to achieve
a conversion of X

CHE 321 10
 any of
these
derive
askto
may
equations.

Summary: Reactor Mole Balances

The GMBE in terms of conversion, X for the reaction A B

Reactor Differential algebraic integral

X
dX dX
Batch N A0 r AV t N A0
dt 0
rAV

CSTR
⑰V
FA 0 X
rA

- X
I
dX FA0 dX
PFR FA 0 rA V
dV 0
rA
X
dX FA0 dX
PBR FA 0 rA W
dW 0
rA

CHE 321 11
 Sizing Continuous Reactors
order
-> first

CSTR
-

PFR

&

PBR
0
-
&

0 0 1
is small, the conversion: shuge
as rate
the
versa
s vice

CHE 321 12
 Example 2-1: data
Consider the following reaction at 500 K and 8.2 atm
I
j
-

O
-

↳ this shows itis not a batch reactor.

&
-

O 0.0 0.45 0.89

0.1
- ignore 0.37 1.08

I
I 0.2 0.30 1.33 bnot
odd-
equally
last-> L 0.4 0.195 2.05 spaced
erf-27
in
->
3 0.6 0.113 3.54
instod

-"
0.7 0.079 5.06
0.8 0.05 8.00
0
CHE 321 13
 0.8
=

Given x

FAr 0.4
= mol/S
~Sta
Example 2-1 continue
X 0.8
=

FAO

Tra
~
X vorld or
anyoumerical methods us at

The previous reaction is to be carried out in a PFR. The entering - -

-

molar flow rate of A is 0.4 mol/s. FA0-0-4mpl3 -

(a) Determine the CSTR and PFR reactor volumes necessary to

achieve 80% conversion.
-

(b) Next, shade the area of FA0/-rA versus X plot that would give
the CSTR and PFR volume necessary to achieve 80%
conversion.
(c) Finally, make a quantitative sketch of the conversion, X, and
the rate of reaction, -rA, down the length (volume) of the
reactor.
Information: Simpson integral rule for equally spaced data

CHE 321 14
Example 2-1: solution ~

&os
For a CSTR find V for a conversion of 80%?

&
3.2 m

1.6 m

CHE 321 15
Example 2-1: solution Simpson’s rule
(ignoring unequal
-

spaced
-
data)

∆𝑋
V= 𝑓 0 + 4𝑓 0.2 + 2𝑓 0.4 + 4𝑓 0.6 + 𝑓 0.8
3
0.2
=0 0.89 + 4𝑋1.33 + 2𝑋2.05 + 4𝑋3.54 + 8 ~2.165 m3
3 -

0.0 0.45 0.89

0.1 0.37 1.08
0.2 0.30 1.33
0.4 0.195 2.05
0.6 0.113 3.54
0.7 0.079 5.06
0.8 0.05 8.00

See example (2-3) in Fogler

CHE 321 16
Example 2-1: solution
• Profile: how a parameter change with length
(or volume)

0.0 0.89 0
0.1 1.08 0.099 Trapezoidal rule
nee

0.2 1.33 0.219

V (X=0.1) = (0.1-0)*(1.08+0.89)/2 = 0.099
0.4 2.05 0.557
0.6 V (X=0.2) = 0.099 + (0.2-0.1)*(1.33+1.08)/2 = 0.219
3.54 1.116
=
*

0.7 5.06 1.546 V (X=0.4) = 0.219 + (0.4-0.2)*(2.05+1.33)/2 = 0.557

0.8 8.00 2.199
… and so on

CHE 321 17
 S

Example 2-1: solution

0.9

0.8

0.7

0.6
0.0 0.89 0
0.5
0.1 1.08 0.099
X
0.4
0.2 1.33 0.219
0.4 2.05 0.557 0.3

0.6 3.54 1.116 0.2

0.7 5.06 1.546 0.1
0.8 8.00 2.199 0
0 0.5 1 1.5 2 2.5
V (m3)

CHE 321 18
Example 2-1: solution The curve is
falling because the amount decreases as
0.5 time
passes so we
keep having
lesss less.
0.45
0.4
0.35
0.0 0.45 0 0.3
0.1 0.37

-rA (mol/m3.s)
0.099 0.25
0.2 0.30 0.219 0.2
0.4 0.195 0.557 0.15
0.6 0.113 1.116 0.1
0.7 0.079 1.546 0.05
0.8 0.05 2.199 0
0 0.5 1 1.5 2 2.5
V (m3)
For isothermal PFR the conversion increases and the
rate decreases as we move down the reactor
CHE 321 19
 by of thumb gives
a
rule PFR a

CSTR vs. PFR smaller volume than the CSTR.

6
-FA0/rA (m3)

0
0 0.5 1
X
For isothermal reactor with greater than zero order, the CSTR volume is
usually greater than the PFR for the same conversion.
CHE 321 20
 Reactors in Series
can
on

Reactors of same or different reactor

cooler.
each
types can be combined in
a
or

be
between neater
N

place
series: - FA0
1. Better temperature control
2. More efficient mixing.
3. Improve conversion by FA2
Inter-stage cooling. FA1
4. Reduce required volume
the
5.
bypass,you
Allows you to can more on to

other reactor
ifanything happens.
FA3

CHE 321 21
Overall and inter-stages conversions

FA0

amount
reacted
⑧
C L
FA2
Feed) (
FA1

d
FA3

What are the formulas for X1, X2 and X3?

CHE 321 22
 CSTR
Reactors in Series is
becoming
the
conversion
bettereverytime

flow

CSTR

𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝐴 𝑟𝑒𝑎𝑐𝑡𝑒𝑑 𝑢𝑝 𝑡𝑜 𝑝𝑜𝑖𝑛𝑡 𝑖

𝑋𝑖 =
𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝐴 𝑓𝑒𝑑 𝑡𝑜 𝑡ℎ𝑒 𝑓𝑖𝑟𝑠𝑡 𝑟𝑒𝑎𝑐𝑡𝑜𝑟

Only valid if there are no side streams

CHE 321 23
CSTR in Series- general design equation
CSTR 1:
FA0

FA1

CSTR 2:
series
CSTR'S
in
FA2
any
ener
- e
M Xo is 0.

General design equation

1
𝑉𝑖 = 𝐹𝐴0 𝑋𝑖 − 𝑋𝑖−1
−𝑟𝐴𝑖

CHE 321 24
 Example 2-2 Xi

The feed to two CSTR’s in series is 0.4 mol/s. If 40%

en
conversion is achieved in the first reactor what would be the
volume of each reactor necessary to achieve 80% overall -
x2
conversion of the entering species A?
0.4welS 2.
-

win S
Fro-
*
0

Data
~

1. -
x +2

&&
X 0 0.1 0.2 0.4 0.6 0.7 0.8
-rA (mol.m-3.s-1) 0.449 0.367 0.301 0.195 0.113 0.079 0.050
always sketch problem: ,
FAoX
= -
VAI -

FA0 0.4
=

mol/s W

Ve
FAo(Xr-xi)
-
=

(A, 0.195
me
=

-
rA2
Vi

Me
XI
=0.4 V2
D

ra-005 - x2 0.8 =

CHE 321 25
Solution example 2-2: CSTR in Series
Find V1 and V2? 9

FA0 8

FA0/-rA (m3)
6
FA1
5

2
FA2
1

0
0 0.2 0.4 0.6 0.8 1
X

CHE 321 26
 PFR as CSTR in Series
FA0

9
8
7

FA0/-rA (m3)
A PFR can be 6
5
modeled as an 4
infinite number of 3
2
CSTRs in series! 1
0
0 0.2 0.4 0.6 0.8 1
X

CHE 321 27
Example 2-3
Solve example 2-2 for two PFR’s in series as shown in the
--
diagram

FA0 FA1 FA2

v, 2
=

Ve 2
=

CHE 321 28
 Solution- PFR in Series
Find V1 and V2? 9
8
FA0 FA1 FA2
7
6

FA0/-rA (m3)
5
4
3
2
1.614 m3
PFR in series are 1

3 Tizen
0.551 m3
equivalent to one PFR 0
0 0.2 0.4 0.6 0.8 1
with the same total volume X
as well as achieving same marine
conversion! Read Example 2-6 in Fogler
CHE 321 29
Combinations of CSTRs and PFRs in Series

0.8

CHE 321 30
Reactor 1 (CSTR):

FA1 FA0 FA0 X 1

FA0 FA1 FA0 FA0 FA0 X 1 FA0 X 1

V1
rA1 rA1 rA1
-

FA 0 V1
rA

X1 X

CHE 321 31
Reactor 2 (PFR):
X2
FA0
V2 dX
X1
rA

FA0 V2
rA

X1 X2
X

CHE 321 32
Reactor 3 (CSTR):
FA2 FA3 rA3V3 0
FA0 FA0 X 2 FA0 FA0 X 3 rA3V3 0

FA 0 X 3 X2
V3
rA 3
V3
FA 0
rA

X1 X X2 X3

CHE 321 33
Example 2-4
Solve example 2-2 for a combination of two CTR’s and a PFR
as shown in the diagram
FA0

X1=20%
FA2
FA1

X2=60%

X3=80%
FA3

CHE 321 34
CSTR/PFR Combination
V1 =(1.33)(0.2)
Find V1, V2 , and V3? 9 =0.27 m3
FA0 8

FA0/-rA (m3)
6
FA2
5
FA1
4

2
FA3 1

0
0 0.2 0.4 0.6 0.8 1
− rA3 X

CHE 321 35
 Space Time and Space Velocity
• The extent of conversion of reactants in a chemical
reactor is related to the time the chemical species
spend in the reactor.
• Two types of time-parameters are commonly used in
chemical reaction engineering
– Reaction time (Batch reactor)
– space time (CSTR)
– residence time (PFR)
• Space time is often used as a scaling parameter in
reactor design

CHE 321 36
 Space Time
Space time τ is the time necessary to process 1 reactor
volume of fluid at entrance conditions.
V
0

The time it takes for this fluid to enter the reactor completely is
the space time. In the absence of dispersion this is also called
the holding time or mean residence time
Actual Residence Time: The time actually spent by fluid inside the reactor.

CHE 321 37
CHE 321 38
Example 2-1
Consider the liquid reaction:
A→B
is to be carried out isothermally in a continuous flow reactor.
Calculate both the CSTR and PFR reactor volumes necessary to
- . -

consume 99% of A (i.e., CA=0.01CA0) when the entering molar

flow is 5 mol/h, assuming the reaction rate –rA is:
a) −𝑟𝐴 = 𝑘 𝑤𝑖𝑡ℎ 𝑘 = 0.05 𝑚𝑜𝑙 ℎ−1 𝑑𝑚−3
b) −𝑟𝐴 = 𝑘𝐶𝐴 𝑤𝑖𝑡ℎ 𝑘 = 0.0001 𝑠 −1
c) −𝑟𝐴 = 𝑘𝐶𝐴2 𝑤𝑖𝑡ℎ 𝑘 = 3 𝑑𝑚3 𝑚𝑜𝑙−1 ℎ−1
The entering volumetric flow rate is 10 dm3/h.
d) Repeat (a), (b) and (c) to calculate the time necessary to
consume 99.9% of species A in a 1000 dm3 constant volume batch
reactor with CA0=0.5 mol/dm3. Problem 1-15 in P33 in Fogler
CHE 321 39
Rule of thumb for liquid phase reactors:

v v0
=

FAO 5
=

mol/h
(A=0.01CA0
order
a) o

D Ist order

2) 2nd order

v
In.vocHo
=

CA (A0(1 x)
=
-

-..aca--enc
FA0 vo
=
(A0

5 10 CAU
=

CA0 0.5
=

B)v vocyo =

ionxxx *

CA (H0(1
= -
X)(A-
d(A = -
CA0dX

v
zu den
=
-
=

a) v v(n0
din
=

CA

SE
-=
-Fiin]
ETR
A0
x 0.99
=

:. . .

a) batch reactor.

-=NANA canse
a) t =

A ktCA =
-

Cn0]

0.999
(A CA0(1
=
-