TTT 248

REACTOR ENGINEERING

ISOTHERMAL
REACTOR DESIGN

Mrs. Nor Helya Iman Kamaludin

Department of Chemical Engineering Technology
 OBJECTIVES

Students should be able to:

 Describe the algorithm that allows the reader to solve

chemical reaction engineering problems through logic
rather than memorization.

 Size batch reactors, CSTRs, PFRs, and PBRs for

isothermal operation given the rate law and feed
conditions.

 Account for the effects of pressure drop on conversion

in packed bed tubular reactors.
 OUTLINE

 Algorithm for Isothermal Reactors

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 Design Structure for Isothermal Reactors
- Batch Reactor
- CSTR
- Tubular Reactor/PFR

 Pressure Drop in Reactors

 ALGORITHM FOR ISOTHERMAL REACTORS
• To design an isothermal reactors, the following sequence is
highly recommended.

• To carry out the evaluation, the following method can be used:

Graphically (Chapter 2 plot)

Numerical (Quadrature Formulas Chapter 2 and Appendix A4)
Analytical (Integral Tables)
Software (Polymath)
 STEPS/PROCEDURE TO DESIGN
ISOTHERMAL REACTOR

 Apply mole balance and design equations of

reactors – (chap 1 & 2)

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 Find rate law – (chap 3)

 Use stoichiometry to express as a function of X –

(chap 3)

 Combine and evaluate to find Volume of CSTR

and PFR or reaction time for batch reactor. –
(chap 4)
DID YOU REMEMBER???

Mole Balance

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Design Equation
DID YOU REMEMBER???

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Rate Law
 Algorithm for
START Isothermal Reactor
END

1. The general
mole equation

2. Design Equations:
• Batch
• CSTR

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• PFR
Evaluate the
3. Is – YES algebraic (CSTR)
rA=f(X) or integral (PFR)
given?
equations
NO
4. Determine the rate law in
terms of the concentration
of the reacting species

5. Use Stoichiometry to express

concentration as a function of conversion
• Liquid phase or Gas phase
6. Combine steps 4 and
• Constant Volume Batch
• Constant P and T
5 to obtain –rA=f(X)
 DESIGN STRUCTURE FOR
ISOTHERMAL REACTORS

Batch Reactor

• Analysis on laboratory scale batch reaction are

sometimes needed in the scale up of laboratory
experiments to pilot plant operation or to full scale
production.

• Data from batch reactor can be used as a references

to determined the reaction time, t needed to
achieve a conversion, x for specific reaction or
sometimes to find the reaction rate constant, k
and also to determine the volume, V of reactors.
BATCH REACTOR – LIQUID PHASE OPERATION

Case : Calculation of time taken, (t) to achieve a given

conversion (X) Elementary irreversible
1st order reaction
AB
 Step 1: Write the mole balance in term of x

dX
N A0  rAV
dt
 Step 2: Write the rate law
 rA  kCA
 Step 3: Derive concentration term from stoichiometry

AO (1  X )
CA  N A
 N  C AO 1  X 
V V
 Step 4: Combine equation from step 1,2,3

N A0 (1  X )
k
dX kC A V
 V V  k (1  X )
dt N A0 N A0

 Step 5: Evaluate by integration

dX
 kdt
(1  X )
X t
1
0 1  X  dx  k 0 dt The reaction time or tR

1 1 1
ln  kt t  ln
1 X k 1 X
SUMMARY : ESTIMATION OF REACTION TIME OF
BATCH REACTOR FOR FIRST AND SECOND ORDER

Mole Balance dX
N A0  rAV
dtR
Rate Law First order Second order
 rA  kC A  rA  kCA2
Stoichiometry
 C A0 1  X 
NA
CA 
V0
Combine
 k 1  X   kC A0 1  X 
dX dX 2

dtR dtR
Evaluate 1  1  1  X 
(integrate) tR  ln   tR   
k 1 X  kC A0  1  X 
 BATCH REACTOR- EXAMPLE

AB
Calculate the reaction time of the above process to
reach 90% conversion in a constant-volume batch
reactor scales, if k = 10-4 s-1.

1  1  For first order

t R  ln  
k 1 X 

1  1 
 ln  
k  1  0.9 
2.3
tR   4 1
 23000 s  6.4h
10 s
 DESIGN STRUCTURE FOR CSTR

 CSTR can be used for liquid and gas phase reaction

but are typically used for liquid-phase reaction

 Thus, CSTR Design covered in this part consists of:

-1st order liquid phase Irreversible reaction
-2nd order liquid phase Irreversible reaction

However, CSTR Design for 1st and 2nd order of gas

phase should give an attention as well.
 CSTR – LIQUID PHASE OPERATION
Elementary irreversible
AB 1st order reaction

 Step 1: Write the mole balance in term of x

F A0 X v0 C A0 X
V 
 rA  rA

 In term of space time, τ = V/ v0

V C A0 X
 
v0  rA
 Step 2: Write the rate law
 rA  kCA
 Step 3: Derive concentration term from stoichiometry
*Liquid phase: constant volume : v = v0

CA  C AO 1  X 
 Step 4: Combine equation from step 1,2,3

V C A0 X C A0 X C A0 X 1 X 
      
v0  rA k C A k C A0 (1  X ) k  1  X 

 k  k is often referred to as
Rearrange : X   Damköhler number
 1  k  (for 1st order)
 Step 5: Evaluate – Several parameters can be
evaluate based on derived equations . For examples:

1 X 
Space time (τ)   
k 1 X 

 k 
Conversion (X) X  
 1  k 

C A0 X C A0  k 
Exit concentration (CA) CA    
k k  1  k 
C
CA 
A0

1  k
 CSTR – LIQUID PHASE OPERATION
Elementary irreversible
2A  B 2nd order reaction

 Step 1: Write the mole balance in term of x

F A0 X v0 C A0 X
V 
 rA  rA

 In term of space time, τ = V/ v0

V C A0 X
 
v0  rA
 Step 2: Write the rate law
 rA  kCA2
 Step 3: Derive concentration term from stoichiometry
*Liquid phase: constant volume : v = v0

1  X 
2
C C
2 2
A A0

 Step 4: Combine equation from step 1,2,3

V C A0 X C A0 X C A0 X X
    
 C A k C A0 1  X  k C A0 1  X 
2 2 2
v0 rA k 2

kCA0 is often referred

to as Damköhler X
number k C A0 
1  X 
2
(for 2nd order)
 Step 5 : Evaluate
X
Space time (τ): 
k C A 0 1  X 
2

Conversion (X):

k C A0 X 2  1  2k C A0X  k C A0  0

1  2k C A0   1  2k C A0    2k C A0 
2 2

X
2k C A0

1  2k   1  4k 
2

X  b  b2  4ac
X
2k 2a
 CLASS TASK

Kindly find the CSTR Design (Reactor Volume) of:

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→ 1st order gas phase Irreversible reaction
 DAMKÖHLER NUMBER

• Damkohler number (Da) is the ratio of the rate

of reaction of A to the rate of convective transport of
A at the entrance to the reactor.
 rA0V
Da   rate of reaction at entrance
FA0
entering flow rate of A

• Damkohler number (Da) gives a quick

estimation of the degree of conversion in CSTR
 DAMKÖHLER NUMBER
• For 1st order irreversible reaction;
 rA0V kC A0V
Da    k
FA0 v0C A0

• For 2nd order irreversible reaction;

 rA0V kC A2 0V
Da    kC A0
FA0 v0C A0

• Rule of thumb to estimate degree of conversion :

If Da  0.1,  X < 0.1

If Da  10,  X > 0.9

 DESIGN OF CSTR – 1ST ORDER

 For CSTRs in series, conversion (X) as a function of

the number of tanks in series (n) :

1
X  1
(1  k ) n

 For CSTRs in parallel, conversion is:

k
X  Just like a single
1  k CSTR
 DESIGN STRUCTURE FOR PFR
 Gas and liquid phase reactions generally carried
out in tubular reactors.

 Assume no dispersion and no radial gradients in

either temperature, velocity, or concentration and
in the absence of pressure drop or heat exchange.

 Thus PFR Design considers on:

-1st order liquid phase Irreversible reaction
Try by
-1st order gas phase Irreversible reaction your own
-2nd order liquid phase Irreversible reaction
Shown in
-2nd order gas phase Irreversible reaction next slides
 PFR DESIGN
Example:
Elementary irreversible
2A  B 2nd order reaction

 Step 1: Write the mole balance in term of x

X
dX dX
FA0  rA V  FA0 
dV 0
 rA

 Step 2: Write the rate law

 rA  kCA2
Step 3: Write concentration in terms of conversion
(from stoichiometry)
For liquid phase
1  X 
2
v = v0
C C
2 2
A A0

C C
2
A
2
A0  
1 X
1  X
2
P T0
P0 T

Step 4 : Combine all the equations

v0  X 
X
For liquid phase FA0 dX
v = v0 V 2
kC A0 0 1  X 2  kCA0  1  X 

Rearrange
kC A0 Da2
X 
1  kC A0 1  Da2
Step 4 :continue

FA0 X
1  X 2 dX
V 2
kC A0 0 1  X 2
v  (1   ) 2
X
V 0  2 (1   ) ln(1  X )   2
X  
kC A0  1  X 
 TAKE-HOME TASK
Kindly find the PFR Design (Reactor Volume) of:

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 1st order gas phase Irreversible reaction
 Do Assignment 1 (Question 2)
 PRESSURE DROP IN REACTORS
 In liquid-phase reactions, the concentration of reactants
is insignificantly affected by even relatively large
changes in total pressure.

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 Thus, the effect of pressure drop on the rate of reaction
can totally be ignored in liquid-phase reactor sizing.

 However in a gas-phase reactions, the concentration of

the reacting species is proportional to the total
pressure.

 This fact is especially true in micro reactors packed with

solid catalyst (PBR) whereas the channels are so small
that pressure drop can limit the throughput and
conversion for gas-phase reactions.
 PBR DESIGN
PRESENCE OF PRESSURE DROP

Example: Elementary irreversible

2nd order reaction
2A  B + C

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A gas phase reaction is being carried out in a PBR
with pressure drop existence.

 Step 1: Write the mole balance in term of x

dX
FA0  rA
dW
 Step 2: Write the rate law  rA  kC 2
A
Step 3: Write concentration in terms of conversion
(from stoichiometry)
2
 (1 X ) P T 0 
Isothermal
T = T0
C  C  (1X ) T 
2
2
A0

 P0 
A

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Step 4 : Combine all the equations
2
dX kC AO  1  X  P
2

    
dW v0  1  X   P0 

 Before evaluation (step 5),we now need to relate

the pressure drop to the catalyst weight (W) in
order to determine the conversion (X) as a function
of W
 The majority of gas phase reaction are catalyzed by passing
the reactant through a packed bed of catalyst particles

Ergun equation for

single reaction

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 For isothermal operation, we have two sets of
equation with two unknowns, X & P

2
dX kC AO  1  X  P  dP   T  P0 
       1  X 
dW v0  1  X  P0  dW 2  T0  P P0 

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(Eq.1) (Eq.2)

Special case: if ε=0, an analytical solution to Eq.2 is

obtained as follows

Used only when

 1  W 
P 12
ε=0
P0
(Eq.3)
 Combine Eq. 1 and Eq.3
dX kC AO
 1  X 2 1  W 
dW v0

 Step 5 : Evaluate by integration

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v0  X   W 
   W 1  
kC AO  1  X   2 
Rearrange to obtain conversion (X) and catalyst
weight (W).
kC A0W  W 
1  
v0  2 
X 1  1  2v0 / kC A0 X / 1  X 
12
kC A0W  W  W
1 1   
v0  2 
 For gas phase reactions, as the pressure drop
increases, the concentration decreases, resulting in a
decreased rate of reaction, hence a lower
conversion when compared to a reactor without a

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pressure drop
 ANNOUNCEMENT!!!
ASSIGNMENT 1 - download from portal
2 Questions
Q1 : Dr. Kartini’s part

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Q2: Mrs. Helya’s part

Answer both questions.

Submission deadline: 28th July 2016 (Thursday)

FINAL EXAM QUESTION

Isothermal Reactor Design : Q4
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THANK YOU