ENCH3115Chemical

Reaction
Engineering
Chapter 1
Mole Balances

Dr Salah
 Lecture 1
Chemical Reaction Engineering is the
field that studies the rates and
mechanisms of chemical reactions and
the design of the reactors in which they
take place.
Chapter One: Mole Balances

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 Today’s lecture
• Introduction

• Definitions

• General Mole Balance Equation

– Batch (BR)
– Continuously Stirred Tank Reactor (CSTR)
– Plug Flow Reactor (PFR)
– Packed Bed Reactor (PBR)

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Chemical Reaction Engineering
It is at the heart of virtually every chemical
process. It separates the chemical
engineer from other engineers.
Industries that Draw Heavily on Chemical
Reaction Engineering (CRE) are: CPI
(Chemical Process Industries)
Examples like Dow, DuPont, Aramco,
Chevron, OQ

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Materials on the Web and CD-
ROM

https://websites.umich.edu/
~elements/5e
/
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 Let’s Begin CRE
• Chemical Reaction Engineering (CRE) is the field that
studies the
rates & mechanisms of chemical reactions & design of the
reactors in which they take place.

Chemical Identity
⚫ A chemical species is said to have reacted when it
has lost its chemical identity.
⚫ The identity of a chemical species is determined by
kind, number, & configuration of that
species’ atoms.

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There are three ways for a species to loose its identity:

1. Decomposition CH3CH3  H2 + H2C=CH2

2. Combination N2 + O2  2 NO
3. Isomerization C2H5CH=CH2  CH2=C(CH3)2

Reaction Rate
⚫ The reaction rate is the rate at which a species looses its
chemical identity per unit volume.
⚫ The rate of a reaction (mol/dm3/s) can be expressed
as either:
⚫ The rate of Disappearance of reactant: -rA
or as
⚫ The rate of Formation (Generation) of product:
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Consider the isomerization
AB
rA = the rate of formation of species A per unit volume
-rA = the rate of a disappearance of species A per unit volume
rB = the rate of formation of species B per unit volume

EXAMPLE: AB
If Species B is being formed at a rate of
0.2 moles per decimeter cubed per second, ie,
rB = 0.2 mole/dm3/s
Then A is disappearing at the same rate:
-rA= 0.2 mole/dm3/s
The rate of formation (generation of A)
is rA= -0.2 mole/dm3/s
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 Reaction Rate

• For a catalytic reaction, we refer to -rA', which is the rate of

disappearance of species A on a per mass of catalyst basis.
(mol/gcat/s)
• Concider species j
• Note: dCA/dt is not the rate of reaction
1. rj is the rate of formation of species j per unit volume [e.g.
mol/dm3 s]

2. rj is a function of concentration, temperature,

pressure, & type of catalyst (if any)
1. rj is independent of the type of reaction system (batch,
plug flow, etc.)
2. rj is an algebraic equation, not a differential equation
(e.g. = -rA = kCA or -rA = kC A2)
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 General Mole Balance

System
Volume,
V
Fj0 Gj Fj

Dichlorodiphenyltrichloroethane(DDT)
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  Molar Flow   Molar Flow   Molar Rate   Molar Rate

 Rate of    Rate of    Generation    Accumulation 
of Species j 
  Species j in    Species j out of Species j

dNj
Fj 0  Fj  Gj 
dt
 mole   mole   mole   mole 
time  time  time  time
       
If spatially uniform
G j  r j V

If NOT spatially uniform

V1
V2
r j1
G  r j1  V 1 r j 2
j1
G j 2  rj 2 V2

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 General Mole Balance
System
Volume,
V
FA G FA
0 A

• General Mole Balance on System Volume V

In  Out  Generation Accumulation

F A 0  FA  r A dV dN A
 dt

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From general mole balance equation, develop
design equations for various types of industrial
reactors: Batch, semibatch, & continuous-flow.
Batch Reactor Mole
Balance
Batch

dN A
FA0  FA   rA dV 
dt
FA0  FA  0

Well Mixed  r A dV  rA V

dNA
 rA V
dt
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 small-scale operation,
 testing new processes
 manufacture of expensive products
 processes that are difficult to convert to continuous operations.
Batch Reactor Mole Balance

d N
Integrating dt  rA V
A

when t = 0 NA=NA0
t = t NA=NA
NA
dN A
t 
N Ao
 rA V
Time necessary to reduce number of moles of A from NA0
to NA. 15
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 Batch Reactor Mole Balance
NA
dN A
t 
N Ao
 rA V

NA

t
Advantage- high conversions by leaving reactant in reactor for long
time,
batch, &difficulty
Disadvantages of labor
high large-scale
costs production.
per batch, variability of products
from batch to 16
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 CSTR

dNA
FA 0  FA   rA dV dt
 dNA
Steady State 
dt 0
Normally operated at steady state & perfectly mixed;
therefore no time dependence or no position dependence of T, C, or
reaction rate inside CSTR.
T & C in exit stream are same as inside reactor. 18
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 CSTR Mole Balance

Well Mixed
 r dV 
A
F F rV 0
r AV
A0 A A

FA 0  FA
V 
rA
CSTR volume necessary to reduce the molar flow rate
from FA0 to FA.

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 Plug Flow Reactor

Plug Flow Reactor Mole Balance

V

FA FA

V V  V

 In   Out    Generation 
  at V V  in  V  0
 at V    

 rAV 0
F A V  FA V V

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 Plug Flow Reactor Mole Balance

Rearrange and take limit as ΔV0

F A  FA
V
lim V
 rA
V 0 V V

dFA
 rA
dV
This is the volume necessary to reduce the entering
molar flow rate (mol/s) from FA0 to the exit molar
flow rate of FA.
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 Alternative Derivation –
Plug Flow Reactor Mole Balance

PFR

dN A
FA0  FA   rA dV 
dt

dN A
Steady State 0
dt

FA0  FA   rAdV  0
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 Alternative Derivation –
Plug Flow Reactor Mole Balance

to V
Differientiate with respect
dFA  rA
0  dV

dFA
 rA
dV
FA
dFA
rA
The integral form is: V  FA0
This is the volume necessary to reduce the entering
molar flow rate (mol/s) from FA0 to the exit molar
flow rate of FA. 23
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 Packed Bed Reactor Mole Balance
PBR

dN A
FA W  FA W  W  rA W 
dt

Steady State

0
dN
dtA
FA
W W  FA W
lim
W 0 W  r 
A
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 Packed Bed Reactor Mole Balance
Rearrange:
dFA
 rA
dW

The integral form to find the catalyst weight is:

FA
dFA
W  
FA
rA
0

PBR catalyst weight necessary to reduce the entering

molar flow rate FA0 to molar flow rate FA.
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 Reactor Mole Balance Summary

Reactor Differential Algebraic Integral

NA N
dN A dN A
Batch  rAV A
dt t  N A rAV
0
t
CSTR  FA
FA 0
V  rA

FA
FA
dF dFA
PFR V 
dV  rA
A
FA
rA
0 V
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Solved problems form “chemical reaction engineering”
by Octave Levenspiel Chapter 5

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