ERT 316: REACTION ENGINEERING

CHAPTER 1
MOLE BALANCES

1 Lecturer: Miss Anis Atikah Ahmad

Email: anisatikah@unimap.edu.my
Tel: +604-976 3245
OUTLINE
 Introduction
 Chemical Species

 Chemical Reaction

 Rate of Reaction

 General Mole Balance Equation

 Batch Reactor

 Continuous-Flow Reactors

 Industrial Reactors

2
INTRODUCTION
 Application of Chemical Reaction Engineering

Waste treatment

Microelectronics Living system

Manufacturing of
Nanoparticles chemical &
pharmaceuticals

3
1. CHEMICAL SPECIES

What are chemical species?

 Any chemical component or element with a given
identity.
 Identity of a chemical species is determined by
the kind, number, and configuration of that
species’ atoms.
 Kind of species- methane, butene, butane

 Number of atoms- eg: CH4: 1 C, 4 H

 Configuration of atoms- arrangement of the

atoms
4
 Can they be considered as different
SPECIES?

Kind: Same (Butene)

Number of atoms: Same (C4H8)
Configuration: Different arrangement

ANSWER: Yes. We consider them as two different

species because they have different configurations. 5
2. CHEMICAL REACTION
 Chemical reaction is any reaction when one or
more species lost their identity and produce a
new form by a change in the kind or number of
atoms in the compound, and/or by a change in
structure or configuration of these atoms.

HOW????
6
2. CHEMICAL REACTION
 Species may lose its chemical identity by:
1) Decomposition (by breaking down the
molecule into smaller molecule)
Eg: C ⇌ A + B
2) Combination (reverse of decomposition)
3) Isomerization ( neither add other molecule nor
breaks into smaller molecule)

7
 It tells how fast a
number of moles of
one chemical species

rA
to form another
3. RATE OF REACTION, chemical species.

rA ,the rate of reaction: is the number of moles of A

reacting (disappearing) per unit time per unit
volume ( mol / dm3  s ).

rA , is the rate of formation (generation) of species A.

rA , is a heterogeneous reaction rate: the no of moles
of A reacting per unit time per unit mass of
catalyst (mol / s  g catalyst)

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 4. THE GENERAL MOLE BALANCE EQUATION
 A mole balance of species j at any instant time:

Rate of generation Rate of

Rate of flow Rate of flow
of j by chemical accumulation
of j into the of j out of
reaction within of j within
system the system
the system the system
(moles/time) (moles/time)
(moles/time) (moles/time)

In - Out + Generation = Accumulation

dN j
Fj0 - Fj + Gj =
dt
V
dN j
Fj0 - Fj +  r j dV = 9
0 dt
4. THE GENERAL MOLE BALANCE EQUATION
Consider a system volume :
System volume

Fj0 Gj Fj

General mole balance:

Fj0 - Fj + Gj = dNj/dt
In - Out + Generation = Accumulation
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THE GENERAL MOLE BALANCE EQUATION
Condition 1:
 If all the the system variables (eg: T, C) are
spatially uniform throughout a system volume:

Gj = rj.V
moles moles
  volume
time time  volume

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THE GENERAL MOLE BALANCE EQUATION
Condition 2:
 If the rate of formation, rj of a species j for the
reaction varies with position in the system
volume:
∆V1
rj1 ∆V2
Fj0 Fj
rj2

 The rate of generation ∆Gj1:

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∆Gj1=rj1∆V1
4. THE GENERAL MOLE BALANCE EQUATION
 The total rate of generation within the system
volume is the sum of all rates of generation in
each of the subvolumes.
M M
G j   G ji  r ji Vi
i 1 i 1

 Taking the limit M∞, and ∆V0 and

integrating,
V
G   r j dV
13
0
TYPE OF REACTORS

Batch

REACTORS

in

Continuous
Flow
out
5. BATCH REACTORS
 The reactants are first placed inside the
reactor and then allowed to react over time.
 Closed system: no material enters or
leaves the reactor during the time the
reaction takes place.
 Operate under unsteady state
condition. the conditions inside
 Advantage: high conversion the reactor (eg:
concentration,
temperature) changes
over time

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5. BATCH REACTORS: DERIVATION
 Batch reactor has neither inflow nor outflow
of reactants or products while the reaction is
carried out:
FA0 = FA = 0

 General Mole Balance on System Volume V

V
dN A
FA0 - FA +  rA dV =
0 dt

dN A V
  rA dV
dt 0 16
5. BATCH REACTORS: DERIVATION
 Assumption: Well mixed so that no variation in
the rate of reaction throughout the reactor
volume: dN A
 rAV
dt
 Rearranging;
dN A
dt 
rAV
 Integrating with limit at t=0, NA=NA0
& at t=t1, NA=NA1,
N A1 N A0
dN A dN A
t1     17
N A0 rAV N A1  rAV
 6. CONTINUOUS-FLOW REACTORS: STEADY STATE
1. Continuous-Stirred Tank Reactor
(Backmix/ vat)
 open system: material is free to enter

or exit the reactor

 reactants are fed continuously into the
reactor.
 products are removed continuously.
 operate under steady state condition
 perfectly mixed: have identical

properties (T, C) everywhere within the vessel.

 used for liquid phase reaction 18
6.1 CONTINUOUS-STIRRED TANK REACTOR
DERIVATION
 General Mole Balance:

V
dN A
FA0 - FA +  rA dV =
0 dt
 Assumption:

1.steady state: dN
A
0
dt
2. well mixed: V
 rA dV  rAV
0
 Mole balance: FA - FA + rAV = 0
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F  FA0 FA0  FA design equation
V A  for CSTR
rA  rA
 6. CONTINUOUS-FLOW REACTORS: STEADY STATE
2. Plug Flow/Tubular Reactor
 Consist of cylindrical hollow pipe.

 Reactants are continuously

consumed as they flow down the

length of the reactor.
 Operate under steady state cond.

 No radial variation in velocity, conc,

temp, reaction rate.

 Usually used for gas phase reaction

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6.2 PLUG FLOW REACTOR
DERIVATION
 General Mole Balance:
V
dN A
FA0 - FA +  rA dV =
0 dt
 Assumption:

1.steady state: dN A  0
dt
V
FA0 - FA +  rA dV = 0
0

 Differentiate with respect to V:

dF dFA 21
0  A  rA ,  rA
dV dV
6.2 PLUG FLOW REACTOR
DERIVATION
dFA
 rA
dV
 Rearranging and integrating between
V = 0, FA = FA0
V = V1, FA = FA1
V1 FA1
dFA dFA
dV  V   r
rA 0 FA 0 A

FA1
dFA FA0 dFA
V1     22
FA 0 rA FA1  rA
 6. CONTINUOUS-FLOW REACTORS: STEADY STATE

3. Packed-Bed Reactor
(fixed bed reactor)
 Often used for catalytic process

 Heterogeneous reaction system

(fluid-solid)
 Reaction takes place on the surface

of the catalyst.
 No radial variation in velocity,

conc, temp, reaction rate

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6.3 PACKED BED REACTOR
DERIVATION the reaction rate is
 General Mole Balance: based on mass of solid
catalyst, W, rather than
dN A reactor volume
 A dW
'
FA0 - FA + r =
dt
 Assumption:
dN A
1.steady state: 0
dt

 A dW
'
FA0 - FA + r = 0

 Differentiate with respect to W:

dFA
 rA' 24
dW
6.2 PACKED BED REACTOR
DERIVATION
dFA
 rA'
dW
 Rearranging and integrating between
W = 0, FA = FA0
W = W1, FA = FA1

dFA V1 FA1
dFA
dW  W  
rA' 0 FA 0 rA'

FA1 FA 0
dFA dFA
W1     25
FA 0 rA' FA1  rA'
SUMMARY OF REACTOR MOLE BALANCE
Differential Algebraic
Reactor Integral Form Comment
Form Form

N A0
No spatial
dN A variations,
Batch dN A t1  
 rAV N A1  rAV
unsteady
dt state
No spatial
F A 0  FA
CSTR - V - variations,
 rA steady state
FA 0
dFA
PFR dFA V1   Steady state
 rA FA1  rA
dV
FA 0 26
dFA dFA
PBR  rA' W1   Steady state
dW FA1  rA'
INDUSTRIAL REACTORS

27

Packed-Bed Reactor at Sasol Limited

Chemical
INDUSTRIAL REACTORS

Fixed-Bed Reactor at British Petroleum (BP): 28

using a colbalt-molybednum catalyst to convert
SO2 to H2S
INDUSTRIAL REACTORS

Fluidized Catalytic Cracker at British Petroleum (BP): 29

using H2SO4 as a catalyst to bond butanes and iso-butanes
to make high octane gas