CHE 309: Chemical Reaction Engineering

Lecture-5

Module 1: Mole Balances, Conversion & Reactor Sizing

(Chapter 2, Fogler)
 Batch and Levenspiel Plots
Isothermal Batch Reactor
system
N A0 x= x
dX
∫x=0 (−rA ) ⋅V
(−rA ) ⋅ V
t Batch = N A0
X

Continuous Stirred Tank Reactor (CSTR)

FA0 FA0
(−rA ) VCSTR =[ ] ×[ X ]
( − rA )
X
Plug Flow Reactor (PFR)
FA0
x= x
(− rA ) FA0
VPFR = ∫ dX
x =0
− rA
X
 Reaction rate as a Function of Conversion
NA N (1 − X )
− rA = f (k , C A ) = f (k , ) = f (k , A0 )
Batch reactor NA V V
N A0 (1 − X )
= f (k , ) = f (k , C A0 (1 − X ))
V0
Function of time,
CA0 Independent of position
FA0 CA (mol A/L) FA FA0 (1 − X )
CSTR − rA = f (k , C A ) = f (k , ) = f (k , )
υ0 FA (mol A/hr) υ υ
υ (L /hr) FA0 (1 − X )
X0 CA = f (k , ) = f (k , C A0 (1 − X ))
X υ0
independent of
time and position
CA0 FA FA0 (1 − X )
CA − rA = f (k , C A ) = f (k , ) = f (k , )
FA0 υ υ
PFR FA
υ0 PFR FA0 (1 − X )
υ = f (k , ) = f (k , C A0 (1 − X ))
υ0
X0 X
Function of position,
Independent of time
 Topics to be covered in today’s lecture

• More Levenspiel Plots

– Thought experiments comparing PFR and CSTR
– Conversions for Reactors in series
– Example Problem (time permitting)
 For same conversion, is the CSTR volume
always higher than PFR volume ?

For a non-isothermal system or autocatalytic reactions, a

different type of curve can occur as follows;

FA0
(−rA )

X VPFR > VCSTR

For a given conversion, can the CSTR
volume be equal to PFR volume?
For zero-other reaction system : (-rA) = k

FA0
(−rA )

VPFR = VCSTR
X
 Reactors in Series

FA2 = FA0 (1 − X 2 )

FA1 = FA0 (1 − X1 )
FA3 = FA0 (1 − X 3 )
Total moles of A reacted up to point i
Xi = Moles of A fed to the first reactor

FAi = FA0 (1 − X i ) GMBE equation

Design equation for reactors in series

 CSTRs in series
FAO Vsingle =
FA0 X 3
− rA3 FA3 Compare volume for
X=0 • A single reactor achieving X3
FAO Single X=X3
• 3 reactors in series achieving X3
X=0 How is the total volume of 3 reactors
FA1
in series related to single reactor ??
X=X1 FA2
X=X2 FA3; X=X3
For same X3,
V1 + V2 + V3 < Vsingle
FA1 = FA0 (1 − X1 )
FA0 X1
V1 =
FA0 - FA1 + rA1V1 = 0 − rA1

FA2 = FA0 (1 − X 2 ) FA0 (X 2 − X1 )

V2 = FAO
FA1 - FA2 + rA2 V2 = 0 − rA2 -rA
FA0 (X 3 − X 2 ) FA0 (X i − X i-1 )
V3 = Vi =
− rA3 − rAi X1 X2 X3
X
 CSTR in series
Can we model PFR as a series of “n” equal volume CSTRs?
FAO
X=0 FAn
1 2 3 4 5 6 7 ------ n-2 n-1 n
X=Xn

FAO FAn
1 2 3 4 5 6 7 --------------- n-2 n-1 n X=Xn
X=0

n
FAO
-rA
VPFR = lim ∑ VCSTR,i
n →∞
i =1
--

Xn X
 PFR in series
X3
FA0
FAO
Vsingle = ∫0 − rA dX FA3
Let us compare two scenarios
• Single reactor achieving X3
• 3 reactors in series achieving X3
X=0 X=X3 • How is the total volume of 3 reactors
FAO in series related to single reactor ??
FA1
FA2
X=0
X=X2
X=X1 FA3; X=X3

V1 + V2 + V3
X1 2 X 3 X
FA0 FA0 FA0
FA0 =∫ dX + ∫ dX + ∫ dX
− rA − rA − rA
(− rA ) 0 X1 X2
X3
V3 FA0
V1 V2
X
= ∫X − rA dX = Vsingle
2
 Class Problem #2
• The exothermic reaction A → B + C was carried out
adiabatically and the following data recorded:
XA 0 0.2 0.4 0.5 0.6 0.8 0.9

-rA (mol/L-min) 10 16.67 50 50 50 12.5 9.09

1/-rA (L-min/mol) 0.1 0.06 0.02 0.02 0.02 0.08 0.11

The entering molar flow rate of A was 300 mol/min FA0

(a) What PFR volume is necessary to achieve 40%
conversion
(b) What conversion can be achieved if the PFR in part(a)
is followed by a 2.4 L CSTR?
 Solution to Class Problem#2
Design Equation
X = 0.4
dX
0.12 V = FAO ∫
0
[
(−rA )
]
L-min/mol

0.10
h h
0.08 Method-2: Simpson’s Rule
0.06
in

Area under curve

0.04
= [h/3]x [f(XO) + 4f(X1) +f(X2)]
1/(-rA)

0.02

0.00
where, h = [X2-XO]/2 & X1=XO+h
0 0.2 0.4 0.6 0.8 1

Conversion - X
Area = [0.2/3] x [0.1 + 4x0.06 + 0.02]
= [0.2/3] x [0.36] = 0.024 L·min/mol

V = 0.024 x 300 = 7.2 L

 Solution to Class Problem#3
Part(b) Conversion in CSTR in series with PFR
FAO FA1 X=X1=0.4 Design Equation
X=0
FA1 − FA 2 X − X1
FA2 = ? V =[ ] = FAO [ 2 ]
(−rA ) X = X 2 (−rA ) X = X 2
X=X2=?
VCSTR = 2.4 L Step-1: Evaluate if X2<0.6
0.12
Area under flat portion of curve
L-min/mol

0.10
= [0.6-0.4] x 0.02 = 0.004
0.08

0.06
V = 300 x 0.004 = 1.2 L
in

0.04
Therefore, we know that X2>0.6
1/(-rA)

0.02

0.00
0 0.2 0.4 0.6 0.8 1

Conversion - X
 Solution to Class Problem#3
Part(b) Conversion in CSTR in series with PFR

Step-2: for X>0.6

find relationship between (1/-rA) and X
1/(-rA) = f(X)
0.12
for X>0.6; f(X) = 0.02 +0.3(X - 0.6)

L-min/mol
= 0.3 X -0.16 0.10

0.08

0.06

in
Area under curve = f(X2).[X2-X1] 0.04
1/(-rA)
V = Area under curve × FAO = 2.4 L
= [0.3 X2 - 0.16] [X2 -0.4] × 300
0.02

0.00
0 0.2 0.4 0.6 0.8 1
Solving for X2, we get X2 =0.6425
Conversion - X