CHAPTER 3

DESIGN OF IDEAL REACTOR FOR

SINGLE REACTIO
N

Prepared by:
SHAM 1
3.1 GENERAL MATERIAL BALANCE
• Equation of mole balance on species j at any time (t) :

Rate of Rate of Rate of Rate of

flow of j flow of j generation of j accumulation
into — out of
+ by chemical
= of j within
system system rxn within system
system

FAo, Rate of flow in FA, Rate of flow out

SYSTEM

GA, Rate of
generation/
consumption

2
Condition 1:
• If all the the system variables (eg: T, C) are
spatially uniform throughout a system
volume:
Gj = rj.V
moles 

volume
moles time time 
volume

3
Condition 2:
• If the rate of formation, rj of a species j for the
reaction varies with position in the system
volume:
∆V1
∆V2
rj1
F j0 Fj
rj2

• The rate of generation ∆Gi1:

∆Gj1=rj1∆V1

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• The total rate of generation within the system
volume is the sum of all rates of generation
in each of the sub volumes.
M M
G j   G ji  rji Vi
i1 i1

• Taking the limit M∞, and ∆V0 and

integrating,
V
G   r j dV
0
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 In – Out + Generation = Accumulation

dN Eq (1.1)
FAo  FA  GA  dtA

where
GA   r dV
A

• Thus,

dN A
FAo

 FA  rAdV 
dt
Eq (1.2)

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3.2 Ideal Batch Reactor Design Equation
• Rules :
a. Has neither flow in nor flow out of rxtant or products while
the rxn is being carried out :

FAo  FA  0
b. Operate at unsteady state :

dN
• Assumptions :
Accumulation  dt A
a. The rxn is perfectly mixed, thus no variation in the rate of rxn
throughout the rxtor volume.


G A  r A dV  rAV
• Therefore, design equation for batch reactor :

dN A



FAo  F A  rA dV
dt

dN A Eq (3.1)
rAV  dt

• Rearrange and integrate with limit at t = 0, then N A = N A O , and at

t = t, then N A = N A :
Eq (3.2)
N dN
t  
A A

N Ao rA V

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• Operation mode for Batch rxtor :

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• Design equation in term no of mol (N) :

If the rate law is first order : rA  kCA

rAV  kCAV  kN A  dNA where N A  CA

dt V
Rearrange and integrate :

NA
 to
t1
dt   k 
1
N Ao
1
NA dN A


1  NA Eq (3.3)
t   k ln 
 N Ao 

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• Design equation in term of concentration (C) :

If the rate law is first order : rA  kCA

dN
rAV  kC AV  dtA
VdCA N A  CA
kCAV  d CAV  where
dt dt V

Rearrange and integrate :

dCA
dt  kC
A

CA
 t1
to dt   k 
1
C Ao
1
CA dC A

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 1
t CA

k
1
C Ao dC A

C1A  C 
t   ln A
Eq (3.4)
k  C Ao 

• Design equation in term of conversion (X) :

• If the rate law is first order : rA  kCA

dN
rAV  kC AV  dtA
 NAo X  NAo dX
d  N Ao  where N A  N Ao  N Ao X
kC AV  dt dt
12
 kC AV  kN A   NAo dX where C AV  N A
dt
Rearrange and integrate :
N Ao
kdt  NAo dX  N A o 1 X  dX
N
A

t
1
X 1
o dt  k o (1 X )dX

1  1  Eq (3.5)
t  ln 
k  (1 X )

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3.3 CSTR Design Equation
• Rules :
a. Operate at steady state (i.e. condition do not change with time)
:
dN A
Accumulation  dt 0
• Assumptions :
a. The rxn is perfectly mixed, thus no spatial variation in the rate
of rxn :

GA  r A dV  rAV

• Therefore, design equation for CSTR :

dN A
FAo  FA   rA dV 
dt
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 FAo  FA Eq (3.6)
V  rA
• Design equation in term of conversion (X) :

 FA F
FAo Ao   FAo  FAo X
V  rA  rA
where FA  FAo  FAo X

FAo X
V Eq (3.7)
(rA )exitA

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• Operation mode for CSTR :

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• Design equation in term concentration (C) and volumetric
flowrate () :

Substitute F  C in Eq (3.6) :

V 
oCAo CA Eq (3.8)
rA

• For liquid phase with constant volume,  = o

CA o (CAo  CAo X )
C C
V  o Aor  o Ao rA
A

CAoo X Eq (3.9) where C A  CAo  CAo X

V 
rA
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• Design equation in term space time () :

If the rate law is first order : rA 

kCA Eq (4.9),
From CAoo X
V  

CAoo X kCA
V
Rearrange and substitute    in Eq above with  = o
kC (1 X )
Ao

X
 V  
Eq (3.10)

k(1
X)

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3.4 PFR Design Equation
• Rules :
a. Operate at steady state (i.e. condition do not change with time)
:
dN A
Accumulation  dt 0
• Assumptions :
a. The concentration various continuously in the axial direction
through the reactor.
b.No radial and spatial variation in rxn rate.
Thus,

GA   rAdV  rAV

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 where the differential volume, ∆V, is shown below.

FA
FAo ∆V FA FA

V+∆V

• Therefore, design equation for PFR :

FAo F A  AdN
 r dV  dt A

FA V  FA V V rAV  0

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Dividing by ∆V and rearrange :

 FA  FA V
V V
   rA
 V 
The term in brackets resembles the definition of the derivative

 f (x  x)  f (x)  df
lim
x0 1 

x  dx

Taking the limit as ∆V approaches zero, therefore :


dFA
 rA Eq (3.11)
dV

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Rearrange and integrate :

d (FAo  FAo X ) dX
dV  F Ao
r
dV
A
X
dX Eq (3.12) where FA  FAo  FAo X
V  FAo o
r A

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• Operation mode for PFR :

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• Design equation in term conversion (X) :
If the rate law is first order : rA  kCA
For liquid phase with constant volume,  = o, from Eq (4.11),

kC A  d (FAo  FAo X )   FAodX where FA  FAo  FAo X

dV
dV CA  CAo  CAo X
kCAo (1 X )  where
o dX
CAodV
and
FAo  CAoo
Rearrange and integrate :
𝑣𝑜
𝑑𝑉 = 𝑑𝑋
𝑘(1 − 𝑋ሻ
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 𝑉 𝑋
𝜐𝑜 1
න 𝑑𝑉 = 𝑑𝑋
න 𝑘 1−𝑋
𝑂 𝑋𝑜

𝜐𝑜 1
𝑉= 𝑙𝑛 Eq (3.13)
𝑘 (1 − 𝑋ሻ

For gas phase with variable volumetric flowrate,  o, from Eq

(4.11) :
kC A  d (FAo  FAo X )   FAodX where FA  FAo  FAo X
dV dV
CAo (1 X ) FAodX

k
dV
 
(1  X ) o  T 
P
 P  T o  30
where C A  C(1
Ao (1 X )  P 
T   T
 X ) P T with P  Po and
o
 To
o 

Thus, CAo (1 X ) FAodX

k (1   dV
X integrate
Rearrange and ) :

F (1 
V X
F (1  dX
X Ao)Ao (1 X ) dX   dV kCAoAo
dV  kC (1
o X) Xo
X)
 V= 𝐹 𝐴𝑜 1 − 𝜀 𝑙𝑛
1
− 𝜀𝑋 Eq (3.14)
1−𝑋
𝑘𝐶 𝐴 𝑜

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• Design equation in term concentration (C) :

If the rate law is first order : rA  kCA

For liquid phase with constant volume,  = o, from Eq (4.11),

kC A  d (CA)   dCA where FA  CA

dV :
Rearrange and integrate
V
 dC
dV  dV  
CA
dC A

k CAo
dV  A
kCA o
CA
𝑣𝑜
𝑉= 𝑙𝑛 𝐶𝐴𝑜
𝑘 Eq (3.15)
𝐶𝐴
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• Design equation in term space time () :

For liquid phase with constant volume,  = o and if the rate law
is first order : rA  kCA , from Eq (4.15),

 C Ao 
V  ln
k  C A 

Rearrange and integrate :

𝑉 1
τ= = 𝑙𝑛 𝐶𝐴𝑜 Eq (4.16)
𝑣 𝑘 𝐶𝐴

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• Summary of Reactors Mole Balances :
Mole Balance
Differential Algebraic Form Integral Form
Equation
N A
dNA
BATCH dN A
t  
 rAV r V
dt N
A
Ao

CSTR V 
FAo  FA 
— —
 rA
FA
dFA
PFR
V  
dFA r
 rA F
A
dV Ao
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• Steps for isothermal reaction design algorithm for mole
balance :
1. Mole Balance : Apply mole balance to specific rxtor design
equation.
2. Rate Law : Determine the rate law in term of concentration of
reacting species (Note: check the unit of k to verify!).
3. Stoichiometry : Use stoichiometry to express concentration as a
function of conversion.
4. Combine : Combine mole balance, rate law and stoichiometry
equations.
5. Evaluate : Evaluate all the combined steps with the given
information.

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