Chemical Engineering

Department
CBB REACTION ENGINEERING

CHAPTER 1: MOLE BALANCES
(part 1)
what you focus on will grow so focus on doing it,
understanding it
1
Basic
knowledge
Application
1. Define Reaction Rate
2. Define General mole balance equation in relation to
reactor design
3. Understanding on various industrial reactors


3
LEARNING OBJECTIVES OF CHAPTER 1
1. Define Reaction Rate
2. Define General mole balance equation in relation to
reactor design
3. Understanding on various industrial reactors


4
LEARNING OBJECTIVES OF CHAPTER 1
Indicates how fast a number of moles of one
chemical species being transform to another
chemical species
5
Rate of reaction
CONVERSION RATE
CHEMICAL
SPECIES A
CHEMICAL
SPECIES B
What is Chemical Species?
Any chemical component with a given identity
Determined by the kind, number and configuration
of the species atom
C C
H
H
CH
3
CH
3

Cis-2-butene
C C
H
H
CH
3

CH
3

Trans-2-butene
Considered as 2 different species due to the different configuration even when
the numbers of atoms of elements are the same
7
When has a chemical reaction takes place?
REACTION
OCCURRED
Changed in
number of
atoms
Changed in
structure
Changed in
atom
configuration
Decomposition
2 2 2 3 3
CH C H H CH CH = +
Isomerisation
Combination
NO 2 O N
2 2
+
8
RATE OF
REACTION

Rate of reactant
disappearance
Rate of product
formation
-r
A

r
B

UNIT:
Rate of chemical species react (or formed) per unit volume (mol/dm
3
.s)
Rate of chemical species react (or formed) per unit catalyst weight (mol/g
cat
.s)

Rate equation is an algebraic equation
Rate equation is an intensive properties depends on
concentration, temperature, pressure, or type of catalyst,
if any, present in a system
Rate equation is not influence by type of reactor used!!

NOTE: dC
A
/dt is not the definition for
reaction rate

Reaction rate, -r
A

Example: Is NaOH
reacting?



CSTR - operated at steady
state; inlet flow rate = outlet
flow rate
Perfectly well mixed system;
concentration of samples
taken at 10 a.m is the same as
concentration taken at 5 p.m
Therefore: dC
A
/dt = 0

Does this mean that -r
A
= 0; i.e.
no reaction occurs?

10
Reaction rate, -r
A

Example: Is NaOH
reacting?



CSTR - operated at steady
state; inlet flow rate = outlet
flow rate
Perfectly well mixed system;
concentration of samples
taken at 10 a.m is the same as
concentration taken at 5 p.m
Therefore: dC
A
/dt = 0

Does this mean that -r
A
= 0; i.e.
no reaction occurs?

11
Reaction rate, -r
A

dt
dC
r
A
A
=
1. Define Reaction Rate
2. Define General mole balance equation in relation to
reactor design
3. Understanding on various industrial reactors


12
LEARNING OBJECTIVES OF CHAPTER 1
13
General Mole Balance Equation
General Mole Balance Equation
IN OUT + GENERATION = ACCUMULATION
UNIT: moles/time
F
AO
F
A
G
A
dN
A
/dt
dt
dN
G F F
A
A A A
= +
0
V r G
A A
. =
Only valid if ALL
SYSTEM VARIABLE
IS A CONSTANT!!
e.g. SMALL VOLUME
BAD NEWS:

Reactor system is RARELY SMALL such that you can consider all
the system variable are SPATIALLY UNIFORM!!
e.g. temperature, concentration & catalytic activity

HOW DO WE DEAL WITH NON-UNIFORMITY?
General Mole Balance Equation
dt
dN
dV r F F
A
V
A A A
= +
}
0
r
A,1
r
A,2
V
1
V
2
1 1 , 1 ,
V r G
A A
A = A

= =
A = A =
M
i
i i A
M
i
i A A
V r G G
1
,
1
,
Taking limits: Let M and V 0
GENERAL MOLE BALANCE
EQUATION FOR
REACTOR SYSTEM
16
Mole Balance For Different Reactor Type
Batch reactor
dt
dN
dV r F F
A
V
A A A
= +
}
0
dt
dN
V r
A
A
= .
IN OUT + GENERATION = ACCUMULATION
17
Mole Balance For Different Reactor Type
Continuous stirred
tank reactor (CSTR)
dt
dN
dV r F F
A
V
A A A
= +
}
0
A
A A
r
F F
V

=
0
0
0
= +
A A A
Vr F F
IN OUT + GENERATION = ACCUMULATION
18
Mole Balance For Different Reactor Type
Plug Flow Reactor
(PFR)
dt
dN
dV r F F
A
V
A A A
= +
}
0
IN OUT + GENERATION = ACCUMULATION
Mole Balance For Different Reactor Type
Packed Bed Reactor (PBR)
-r
A
= mol A reacted
time. mass of catalyst
SUMMARY
Reactor Mole Balance Remarks
Batch Well mix, no
spatial
variation,
unsteady state
CSTR Well mix, no
spatial
variation,
steady state
PFR Steady state
PBR Steady state
dt
dN
V r
A
A
=
Types of Reactor:
1. Batch reactor
2. Continuous-Stirred Tank Reactor (CSTR)
3. Plug Flow Reactor (PFR) or Tubular Reactor
4. Packed Bed Reactor (PBR)
Industrial reactors
Types of reaction
Liquid phase reaction Gas phase reaction
Batch / Semi batch reactor
CSTR
PFR

Tubular reactor
Packed bed reactor
Example 1-1: How large is it?

Consider the reaction: AB (first order reaction)

The reaction is carried out in a tubular reactor with constant
volumetric flow rate.
1. Derive the equation to relate the reactor volume to the
entering and exiting concentration of A, the rate constant, k,
and the volumetric flow rate, v.
2. Determine the reactor volume required to reduce the exit
concentration to 10% of the entering concentration. Data:
volumetric flow rate = 10 dm
3
/min, k = 0.23 min
-1
23
EXAMPLE
Use Example 1-1.
Calculate the volume of CSTR for the conditions
used in Example 1-1.
Which gives the larger volume?
What contributes to these differences?
24
EXAMPLE
25
FORMATIVE
ASSESSMENT
1. What assumptions were made in the derivation of
the design equation for
the batch reactor?
the plug-flow reactor?
the CSTR?
the packed bed reactor?

2. Is reaction rate an extensive quantity? Explain.


26
END OF LECTURE
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