CHEMICAL REACTION

ENGINEERING (SKF3223)

Chapter 2: Conversion and

Reactor Sizing

WAN NORHARYATI WAN SALLEH

hayati@petroleum.utm.my
RAFIZIANA MD. KASMANI
rafiziana@petroleum.utm.my
 Conversion, X
 To quantify how far a reaction has progressed
 How many moles of C are formed for every mole A consumed

Consider : aA bB cC dD
The basis of calculation is always the limiting reactant

b c d
A B C D
a a a
 Irreversible reaction: Xmax = 1.0 (complete conversion)
 Reversible reaction: Xmax = Xequilibrium (equilibrium conversion)
 CONVERSION
X = moles of A reacted / consumed
moles of A fed

Batch system (X,t) Flow system (X,V/W)

N A0 - N A FA0 FA
XA XA
N A0 FA0

N A (mol ) N A0 N A0 X FA (mol / s ) FA0 FA0 X

N A0 (1 X ) FA0 (1 X )
NA0X= moles of A consumed FA0X= molar flow rate at which A is
/ reacted consumed / reacted
 BATCH REACTOR
 For batch reactor , we are interested in determining how long to leave
the reactants in the reactor to achieve a certain conversion

dN A
From mole balance: rAV From the conversion: NA N A0 N A0 X
dt
 This is how the Design Equation derived from mole balance equation in
terms of conversion

Differentiating with respect of time:

dN A dX NA0 = 0 : constant with respect of time

0 N A0
dt dt
X
dX dX dX
rAV N A0 rAV N A0 t N A0
dt dt 0
rAV

4
 GAS FLOW SYSTEM

 The entering molar flow rate, FA0 (mol/s)

FA0 C A0 0 CA0= entering concentration,

mol/dm3
mol mol dm3 Ya0= entering mole fraction of A
3
.
s dm s P0= entering total pressure, kPa

C A0 for gas system T0=entering temperature, K

Pa0= entering partial pressure
PA0 y A0 P0
C A0 R= ideal gas constant =
RT0 RT0 8.314k.Pa.dm3/mol.K
 CSTR
From mole balance: From the conversion:
FA0 FA FA FA0 FA0 X
V
rA

Design Equation:

FA0 ( FA0 FA0 X )

V
rA

FA0 FA0 FA0 X FA0 X

V V
rA rA
 PFR
From mole balance: From the conversion:
dFA FA FA0 FA0 X
rA
dV
Design Equation:

Differentiating with respect of volume:

dFA dX
0 FA0 FA0 = 0 : constant with respect of volume
dV dV
X
dX dX dX
rA FA0 rA FA0 V FA0
dV dV 0
rA
 PBR
From mole balance: From the conversion:
dFA FA FA0 FA0 X
r'A
dW

Design Equation:
Differentiating with respect of weight of catalyst:

dFA dX
0 FA0
dW dW
X
dX dX dX
r'A FA0 r'A FA0 W FA0
dW dW 0
r'A
 DESIGN EQUATIONS
Design Equations for Isothermal Reactors
REACTOR DIFFERENETIAL ALGEBRAIC INTEGRAL
FORM FORM FORM
X
dX dX
BATCH N AO ( rA )V t N AO
dt 0
rAV

FAO ( X )
V
CSTR ( rA ) Exit

X
dX dX
PFR FAO ( rA ) V FAO
dV 0
rA
dX X
dX
PBR FAO ( r'A ) W FAO
dW r'A
0

9
 REACTOR SIZING
 By sizing a chemical reactor we mean we're either determine the
reactor volume to achieve a given conversion or determine the conversion that
can be achieved in a given reactor type and size.

 Normally, the process / experimental data will be given (X, -rA)

PFR

 Simpson's One-Third Rule is one of the more common numerical

methods.
 Other numerical methods (see Appendix A.4, pp 1013-1015):
(i) Trapezoidal Rule (2 data points)
(ii) Simpson's Three-Eighth's Rule (4 data points)
(iii) Five-Point Quadrature Formula (5 data points)
 Reactor Sizing

Levenspiel Plot

CSTR PFR
 REACTORS IN SERIES
Why?

 Sometimes 2 CSTR reactor volumes in series is less than the

volume of 1 CSTR to achieve the same conversion.

 Can model a PFR with a large number of CSTR in series.

 In the case of PFR, whether you place 2 PFR in series or have 1

PFR, the total reactor volume required to achieve the same
conversion is identical.
 REACTORS IN SERIES
X1 = conversion achieved in
X=0 the PFR
FA0 FA1
V1 X2 = conversion achieved in
the PFR & CSTR
PFR
FA2

V2
V3
Valid only for NO side FA3
streams: CSTR PFR
X3 = total
conversion
FA1 FA0 FA0 X 1 achieved by all
3 reactors
FA2 FA0 FA0 X 2
FA3 FA0 FA0 X 3
(i) CSTR in series:
X0
FA0 X 1
V1
FA0 X1 rA1
FA1
V1
-rA1 X2
FA0 ( X 2 X 1 )
V2
V2 FA2 rA2
-rA2

X1
(ii) PFR in series: dX
V1 FA0
0
rA
X0 X1
FA0 FA1 X2 X2
V1
FA2
dX
V2 FA0
-rA1 V2
X1
rA
-rA2
 (iii) CSTR + PFR in series:
X0 X1
FA0 FA1 X2
FA2
V1
-rA1 V2
X3
-rA2
FA3
V3
FA0 X 1
V1 -rA3
rA1 X2
dX
V2 FA0
X1
rA 2

FA0 ( X 3 X 2 )
V3
rA3
 SPACE TIME,
 The time necessary to process one reactor volume by
the volumetric rate entering the reactor

 Also called the holding time or mean residence time

V
0

volume
time
volume / time

 where 0 is entrance volumetric rate

16
 SPACE VELOCITY (SV)

0 1
SV
V

 Reciprocal of the space time,

 Two SV commonly used in industry:

GHSV Gas Hourly Space Velocity, h-1

v0 at STP (standard temp. and pressure)

LHSV Liquid Hourly Space Velocity, h-1

v0 at some reference temperature
 REFERENCES
Main Reference:

1. Fogler,H.S., “Elements of Chemical Reaction Engineering”, 4th

Edition,Prentice Hall, New Jersey, 2006.

Other References:

1. Davis, M.E and Davis, R.J, “Fundamentals of Chemical Reaction

Engineering”, Mc-Graw-Hill, New York, 2003
2. Schmidt, L.D, “The Engineering of Chemical Reactions”, Oxford,
New York, 1998
3. Levenspiel,O., “Chemical Reaction Engineering”, 3rd Edition,
Wiley,New York, 1998
4. Smith,J., “Chemical Engineering Kinetics”, 3rd Edition, McGraw-
Hill, New York, 1981