Last time: Introduction

Objectives
Have fun learning
Chemical Reaction
Engineering
Develop a
fundamental
understanding of CRE
Enhance critical &
creative thinking skill
Possibilities and
limitations of CRE

Today: Mole Balances

11/05/2015

ChE 24A 1 Mole Balances

The Six Types of Socratic

Questions
1. Questions for clarification
2. Questions that probe assumptions
3. Questions that probe reasons and evidence
4. Questions about Viewpoints and
Perspectives
5. Questions that probe Implications and
Consequences
6. Questions about the question

11/05/2015

ChE 24A 1 Mole Balances

3.2 The Six Types of Socratic Questions 2

4. Questions about
Viewpoints and
Perspectives:

What would be an alternative?

What is another way to look at it?
Why is the best?
What are the strengths and weaknesses
of...?
How are...and ...similar?
"With all the bends in the pipe, from an
industrial/practical standpoint, do you
think diffusion will affect the conversion?"

5. Questions that
probe
Implications and
Consequences:

What generalizations can you make?

What are the consequences of that
assumption?
What are you implying?
How does...affect...?
"How would our results be affected if
neglected diffusion?"

6. Questions about
the question:

What was the point of this question?

Why do you think I asked this question?
What does...mean?
"Why do you think diffusion is important?"

10/05/2015

Course overview ChE 24A

current week 1

Topic

Book

0. Course Orientation and Introduction

Preface

1. Mole Balances Pilar 1

Ch 1

1-2

2. Conversion and Reactor Sizing

Ch 2

2-3

3. Rate Laws Pilar 2

Ch 3

PRELIM topic 1-3;

Week
1

week 5 absent (Bonifacio Day & Xavier Days)

4. Stoichiometry Pilar 3

Ch 4

Ch 5

7 & 10

week 8 & 9 Christmas Break

5. Isothermal Reactor Design: Conversion
MIDTERM: Topic 1-5

6. Isothermal Reactor Design: Molar Flow Rates

Ch 6

11

7. Design for Multiple Reactions

Ch 8

12

8. Heterogeneous Reactors Levenspiel: Ch 17 & 18

Present

SEMI-FINAL topic 6-8

13 14
15

9. Collection and Analyses of Rate Data

Ch 7

16

10. Nonisothermal Reactor Design - Steady State Adiabatic

Ch 11

17

Ch 12

18

11. Nonisothermal Reactor Design

- Steady State Heat Exchange
ChE 24A 1 Mole Balances

11/05/2015

Lecture 1
Chemical Reaction Engineering (CRE) is the
field that studies the rates and mechanisms of
chemical reactions and the design of the
reactors in which they take place.

From http://www.umich.edu/~essen/
Slightly adjusted
ChE 24A 1 Mole Balances

11/05/2015

Mole Balances
1. Introduction
2. Definitions
3. General Mole Balance Equation
Batch (BR)
Continuously Stirred Tank Reactor (CSTR)
Plug Flow Reactor (PFR)
Packed Bed Reactor (PBR)

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ChE 24A 1 Mole Balances

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1. Chemical Reaction
Engineering
Chemical reaction engineering 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:
Chemical Process Industries
Examples like Dow, DuPont, Amoco, Chevron

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ChE 24A 1 Mole Balances

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Some other applications are:

8
ChE 24A 1 Mole Balances

11/05/2015

Smog (Ch. 1)
Wetlands (Ch. 7 DVD-ROM)

Hippo Digestion (Ch. 2)

Oil Recovery
(Ch. 7)

Chemical Plant for Ethylene Glycol (Ch. 5)

Lubricant Design
(Ch. 9)

Cobra Bites
(Ch. 8 DVD-ROM)

Plant Safety
(Ch. 11,12,13)

Lets Begin CRE

Chemical Reaction Engineering (CRE) is the

field that studies the rates and mechanisms of

chemical reactions and the design of the reactors
in which they take place.

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ChE 24A 1 Mole Balances

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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 the kind, number, and configuration of that
species atoms.

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ChE 24A 1 Mole Balances

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Chemical Identity
A chemical species is said to have reacted when

it has lost its chemical identity.

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

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ChE 24A 1 Mole Balances

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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: rP

13
ChE 24A 1 Mole Balances

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Reaction Rate
Consider the isomerization
AB
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

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ChE 24A 1 Mole Balances

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Reaction Rate
EXAMPLE:

AB

If Species B is being formed at a rate of

0.2 moles per decimeter cubed per second, i.e.,
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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ChE 24A 1 Mole Balances

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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)
NOTE: dCA/dt is not the rate of reaction

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ChE 24A 1 Mole Balances

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Reaction Rate
Consider species j:
1. rj is the rate of formation of species j per unit volume
[e.g. mol/(dm3s)]
2. rj is a function of concentration, temperature,
pressure, and the type of catalyst (if any)
3. rj is independent of the type of reaction system
(batch, plug flow, etc.)
4. rj is an algebraic equation, not a differential equation
(e.g. -rA = kCA or -rA = kCA2)

17
ChE 24A 1 Mole Balances

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Building Block 1:

General Mole Balances

System
Volume, V

Fj0

18

Fj

Gj

Molar Flow Molar Flow Molar Rate Molar Rate

Rate of
Rate of
Generation Accumulation

Species j in Species j out of Species j of Species j

dN j
Fj 0

Fj

Gj

dt
mole
mole
mole
mole

time
time
time
time
ChE 24A 1 Mole Balances

11/05/2015

Building Block 1:

General Mole Balances

If spatially uniform:

G j r jV
If NOT spatially uniform:

V1
rj1
G j1 r j1V1

19

V2
rj 2
G j 2 rj 2 V2

ChE 24A 1 Mole Balances

11/05/2015

Building Block 1:

General Mole Balances

n

G j rji Vi
i 1

Take limit
n

Gj

rji Vi

i1 limV 0 n

r dV
j

20
ChE 24A 1 Mole Balances

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Building Block 1:

General Mole Balances

System
Volume, V

FA0

FA

GA

General Mole Balance on System Volume V

In Out Generation Accumulation

dN A
FA0 FA
rA dV

dt
21General Mole Balance Equation (GMBE)
ChE 24A 1 Mole Balances

11/05/2015

Batch Reactor - Mole Balances

Batch

dN A
FA0 FA rA dV
dt
FA0 FA 0

Well-Mixed

r dV
A

rAV

dN A
rAV
dt

22
22
ChE 24A 1 Mole Balances

11/05/2015

Batch Reactor - Mole Balances

Integrating
when

dN A
dt
rAV

t 0 N A N A0
t t NA NA

NA

dN A
t
rAV
N A0
Time necessary to reduce the number of moles of A from N A0 to NA.
23
ChE 24A 1 Mole Balances

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Batch Reactor - Mole Balances

NA

dN A
t
rAV
N A0

NA

24
ChE 24A 1 Mole Balances

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CSTR - Mole Balances

CSTR

FA 0 FA

Steady State

dN A
rA dV
dt

dN A
0
dt

25
ChE 24A 1 Mole Balances

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CSTR - Mole Balances

Well Mixed

r dV r V
A

FA 0 FA rAV 0

FA 0 FA
V
rA

CSTR volume necessary to reduce the molar flow

rate from FA0 to FA.
26

ChE 24A 1 Mole Balances

11/05/2015

Plug Flow Reactor - Mole

Balances

27
ChE 24A 1 Mole Balances

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Plug Flow Reactor - Mole

Balances
V

FA

FA

28

V V

In Out
Generation

0
at V

at V V in V

FA V FA V V rA V
0
ChE 24A 1 Mole Balances

11/05/2015

Plug Flow Reactor - Mole

Balances
Rearrange and take limit as V0

lim

V 0

FA V V FA V
V

rA

dFA
rA
dV

29

ChE 24A 1 Mole Balances

11/05/2015

Plug Flow Reactor - Mole

Balances
PFR

dN A
FA0 FA rA dV
dt
Steady State

dN A
0
dt

FA0 FA rA dV 0
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ChE 24A 1 Mole Balances

11/05/2015

Alternative
Derivation
Plug Flow
Reactor

- Mole

Balances

FA0 FA rA dV 0
Differientiate with respect to V

dFA
rA
dV

dFA
0
rA
dV
The integral form is:

FA

FA 0

dFA
rA

This is the volume necessary to reduce the entering molar

flow rate (mol/s) from FA0 to the exit molar flow rate of FA.

31
ChE 24A 1 Mole Balances

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Packed Bed Reactor - Mole

Balances

PBR
FA

32

FA

W W

dN A
FA |W FA |W W rA W dt
dN A
Steady State
0
dt
FA W W FA W
lim
rA
W 0
W
ChE 24A 1 Mole Balances

11/05/2015

Packed Bed Reactor - Mole

Balances
Rearrange:

dFA
rA
dW

The integral form to find the catalyst weight is:

FA

FA 0

dFA
rA

PBR catalyst weight necessary to reduce the

entering molar flow rate FA0 to molar flow rate FA.
33
ChE 24A 1 Mole Balances

11/05/2015

Reactor Mole Balances

Summary
The GMBE applied to the four major reactor types
(and the general reaction AB)
Reactor
Batch

Differential

PBR
34

dN A
t
rV
N A0 A
V

dFA
rA
dV

dFA
rA
dW

ChE 24A 1 Mole Balances

Integral
NA

dN A
rAV
dt

CSTR
PFR

Algebraic

FA 0 FA
rA

FA

FA 0

FA

FA 0

dFA
drA
dFA
rA

NA
t
FA
V
FA
W