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ISOTHERMAL
REACTOR
DESIGN

CHAPTER 4

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TOPICS

1. Design Structure for Isothermal


Reactors (batch, CSTR and PFR)

2. Introduction for space time () and


Damkohler number

3. Catalysis and Catalytic Reactions


TOPIC OUTCOMES
Describe the chemical reaction
engineering algorithm for isothermal
reactor design in order to solve
chemical reaction engineering
problems
Use the given rate law and feed
conditions to design batch reactors,
CSTRs, PFRs for isothermal operation
Introduction of catalysis and catalytic
reactors
Design Reactor Procedure
1. Apply Mole Balance and Design
Equation
V
dN j
F jo rj dV F j
dt
2. Find Rate Law -rA=k(T)f(Ci)
3. Use stiochiometry to express
concentration as a function of X
4. Combine & evaluate to find tbatch, VCSTR,
VPFR
Design of batch reactor
1st order elementary reaction AB
Batch; liquid phase reaction
Mole balance N dX r V
Ao A
dt
Rate law rA=kCA
Stoichiometry CA=CAo(1-X)
Combine dX
k (1 X )
dt
Integrate 1
t ln
1
k 1 X
Design of batch reactor
2nd order elementary reaction
Batch; liquid phase reaction
Mole balance dX
N Ao rAV
dt
Rate law rA=kCA2
Stoichiometry CA=CAo(1-X)
Combine dX
kC Ao 1 X
2

dt
Integrate X
t
kCAo 1 X
Example: Design of Batch Reactor

Considering gas phase irreversible reaction


AB carried out in a constant volume batch reactor,
what is the time required to achieve 90% of conversion.

Additional information
Raw material: pure A
Required conversion:90 %
Operating condition:1000 K and 600 kPa
Reaction rate constant:0.9s-1
Initial concentration:10 mol/dm3
Design of CSTR

1st order elementary reaction AB


CSTR; liquid phase reaction
F X
Mole balance V
r
AO

A exit

Stoichiometry C A C Ao 1 X

Rate law rA kCA

Combine
V

1 X

o k 1 X

Evaluate
k C Ao
X CA
1 k 1 k

= Damkohler Number
Space time ()
Is a characteristic time of a reactor
The time it takes for this fluid to enter
the reactor completely
Also called the holding time or mean
residence time
V

o
Damkohler Number (Da)

Damkhler number is a dimensionless number that can give a


quick estimate of the degree of conversion that can be achieved
in CSTR.

First order :

Second order :

Da = 0.1 or less, usually give less than 10%


conversion.
Da = 10.0 or greater, usually give greater than
90% conversion.
Design of CSTR
2nd order elementary reaction
CSTR; liquid phase reaction
F X
Mole balance Ao
V
r A exit

Stoichiometry C C 1 X
A Ao

Rate law
2
rA kCA

Combine V X
o kC Ao 1 X
2

Evaluate 1 2Da 1 4Da


X
2 Da
Example: Design of CSTR

The elementary gas phase reaction


2A + B C
takes place in a CSTR at constant
temperature (500 K) and constant
pressure (16.4 atm). The feed is equal
molar in A and B. Calculate the volume
of CSTR if X=0.9 (FA0= 5 mol/s).
k = 1 (dm3/mol)2.s-1 Note : constant
CSTRs in Series

First-order reaction, liquid phase (=o)


Mole balance on CSTR-1
FAo FA1 o C Ao C A1
V1
rA X X 1 k1C A1
C Ao C A1 C
1k1 Ao 1
C A1 C A1
C Ao
C A1
1 1k1
CSTRs in Series (cont.)

Mole balance on CSTR-2


FA1 FA 2 o C A1 C A 2
V2
rA X X 2 k 2C A 2
C A1 C A 2 C A1
2 k2 1
C A2 C A2
C A1
C A2
1 2 k2
C Ao
C A2
1 1k1 1 2 k 2
CSTRs in Series (cont.)

For n-equal sized CSTR in series


All CSTRs are operated at same
temperature (k is same in all reactors)
C Ao C A1 C A2 C An 1
C A1 C A2 C A3 C An
1 k 1 k 1 k 1 k

C Ao
C An
1 k n
1
X 1
1 k n
CSTRs in Parallel

V FA0
Vi , FA0i
n n
V FA0 X i

n n rAi
Example n equal sized CSTRs-
which is better configuration?
(Parallel or series)

If you had two 100 liters reactors available with 10


L/min and had the option of setting them in series
or parallel, which configuration would you choose
to achieve maximum conversion for a 1st order
(k=0.311 min-1) reaction occurring in liquid
phase? Also explain why you choose that option?
Design of PFR

1st order elementary reaction AB


PFR; liquid phase
dX
FAo rA
Mole balance dV
Stoichiometry C A C Ao 1 X
Rate law rA kC A
Combine dX kC Ao 1 X

dV FAo
V X
Evaluate k dX

o 0
dV
0
1 X

o
1
V ln
k 1 X
Design of PFR
1st order reaction, gas phase, PFR
X
dX
MoleBalanc e, V FAo
0
rA
1 X
Stoichiome try , C A C Ao
1 X
RateLaw ,rA kCA
1 X
X
Combine, V FAo dX
0
kCAo 1 X

1 ln 1 X X
FAo 1
Integrate , V
kCAo
Another example for PFR
2nd order reaction, gas phase, PFR

X
dX
MoleBalanc e, V FAo
0
rA
1 X
Stoichiome try , C A C Ao
1 X
RateLaw , rA kCA
2

Combine, V FAo
X
1 X
2
dX
0 kCAo 1 X
2 2

Ao 2
X
2 1 ln 1 X X
1
Integrate , V 2

kCAo 1 X
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Catalyst

Catalyst: a substance that affects the rate of


a reaction but emerges from the process
unchanged
Substances that accelerate or slow the rate of
chemical reaction without being consumed
A catalyst changes only the rate of a reaction;
it does not affect the equilibrium
Types of Catalyst

Porous catalyst-a catalyst that has a


large area resulting from pores
Molecular sieves-materials with small
pores that they will admit small molecules
but prevent large ones from entering
E.g. clays zeolites, crystalline
aluminosilicates
Porous Catalyst

SEM micrographs of some prepared porous ceramics


Type of Catalyst

In some cases a catalyst consists of minute


particles of an active material dispersed over
a less active substance called a support.
(e.g.: Carbon nanotubes supported catalyst)
The active material is frequently a pure
metal or metal alloy
Such catalysts are called supported
catalysts as distinguished from
unsupported catalysts.
Catalysts can also have small amounts of
active ingredients added called promoters
which increase their activity.
Supported catalysts

Nanoporous Carbon Supported PtRu Catalyst Supported On Carbon


MnOx Catalysts for Oxidation of
Benzyl Alcohol
Catalysis

Catalysis is the occurrence, study and


use of catalysts and catalytic processes.
Homogeneous catalysis: a catalyst is in
solution with at least one of the reactants
Heterogeneous catalytic process:
involves more than one phases
Usually catalyst is a solid and the
reactants and products are in liquid or
gaseous form
Steps in a Catalytic Reaction

Catalytic packed-bed reactor


Overall rate of reaction = the rate slowest step in the
mechanism.
Deactivation

Deactivation- which refers to the decline


in a catalysts activity progress
Catalyst activity maybe caused by:
Aging phenomenon- a gradual change
in surface catalyst structure
Fouling or coking- the deposit of
carboneous or other material on the entire
surface
Poisoning- the irreversible deposition of
a substance on the active site
Deactivation - Aging
Deactivation - Coking
Deactivation - Poisoning
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