Chemical Engineering

Department
CDB 2043 REACTION ENGINEERING
CHAPTER 5: Collection and Analysis
of Rate Data
Failing to plan is planning to fail
-Effie Jones-

LEARNING OUTCOMES
At the end of the chapter, student should be able to
apply the concept of CRE algorithm in solving design
problems related to:
1. Determine the reaction order and specific
reaction rate from experimental data
2. Decide the most suitable type of analysis
technique for a particular problem

Recap from Chapter 4

MOLE BALANCE & DESIGN EQUATION
RATE LAW
STOICHIOMETRY
COMBINE INFORMATION
EVALUATE

GRAPHICAL METHOD
NUMERICAL METHOD
ANALYTICAL METHOD
SOFTWARE

Topics
Analysis of data to find rate law:
1) Integral method of analysis
2) Differential method of analysis

Analysis of Data to find Rate Law

2 common reactors used to obtain rate data:
Batch reactor
For homogeneous reactions
By measuring CA as f(t)

Differential reactor
FAe

FA0

Catalyst

Analysis of Data to find Rate Law

Methods used to analyze rate data:
1. Integral method (try and error - reaction order)
2. Differential method (
Methods of finding

) (Fogler: page 258-259)

Graphical
Finite Different Method (Numerical Method)
Polynomial

3.
4.
5.
6.

Half live method

Initial rate method
Linear regression
Non-linear regression

Integral method analysis

1. Need to guess reaction order
2. Integrate the differential form of equation used to model the
reactor used.
3. If the right reaction order is assume, the plot of
concentration time data should be linear

3 examples will be considered:

Zero order
First order
Second order

Analysis of Data to find Rate Law

Consider the following reaction:
A Products
Step 1: Mole balance:
Step 2: Rate Law:

Step 3: Stoichiometry: V=V0, =

Step 4: Combine:

Integral method analysis

Zero order reaction:

= rA = k

Integration gives:

CA0

Slope = -k

x
= 0

CA

C m
t

Integral method analysis

First order reaction:

= =

Integration gives:

1
=

x
0

Slope = k

y m
t
10

Integral method analysis

Second order reaction:

= = 2

Integration gives:

1
2 =

x
1
1

=
0

Slope = k

CA0

t
11

Example 5.2
The reaction of trityl (A) and methanol (B)
O
||
(C6H5)3CCl + CH3OH (C6H5)3CCH3 + HCl
A

Time (min)

50

100

150

200

250

300

CA
(mol/dm3)

0.0500

0.0380

0.00306

0.00256

0.00222

0.00195

0.00174

It was reported that the reaction is second order w.r.t A.

Given,
CB0 = 0.5 mol/dm3
Mission:
1. Using the data, confirm that the reaction is second order.
12

Example 5.1

1
2 =
0

= 2

13

Time
(min)

CA
(mol/dm3)

0.0500

50

0.0380

100

0.00306

150

0.00256

200

0.00222

250

0.00195

300

0.00174

1/CA
(dm3/mol)

70

20.00

50

26.32
326.80

y = 0.1248x + 20.118

60

40

Slope = k

30
20

1
0

390.63
10

450.45

1
1
= +

512.82

574.71

dm3
0.1248 mol.min

k=

50

100

150

200

250

300

350

CA0= 0.0497 mol/dm3

Summary of Topic 1
1. Guess reaction order, integrate mole balance
equation.
2. Calculate the resulting function in term of
concentration data, and plot f(C) vs t
3. If the plot is linear, then you have guessed the
correct reaction order.
4. Otherwise, guess another order and repeat the
procedure.

14

Differential method analysis

Take natural log of:

= +

y
Plot graph of
Slope =
Intercept = ln k

15

vs. give straight line graph with:

??


Finding

Graphical Method
Finite Difference Method

Interior point :

Last point

Initial point

16

30 +41 2
2

1
2

1
2

3 44 + 35

+1

Example 5.2
The following reaction takes place in an isothermal constant volume batch reaction
system. The initial concentration of B is 0.5 mol/dm3. The concentration of A at
different time was recorded as shown in the table.
O
||
(C6H5)3CCl + CH3OH (C6H5)3CCH3 + HCl
A

Time (min)

50

100

150

200

250

300

CA
(mol/dm3)

0.0500

0.0380

0.00306

0.00256

0.00222

0.00195

0.00174

Mission:
Determine reaction order w.r.t. A

17

Example 5.2

= +

Using graphical method:

2 1
=

2 1

38 50

=
= 0.24
50 0
3 .

18

Time
(min)

CA
(mol/m3)x103

50

50

38

0.24
0.148

100

30.6

0.1
150

25.6

0.068
200

22.2

0.054
250
300

19.5
17.4

0.042

Example 5.2
0.30
0.25

Time
(min)

CA
(mol/m3)x103

50

50

38

0.24

0.3
0.186

0.148
100

0.20

0.1
150

0.08

25.6

0.068

0.15

200

mol
dm3 . min

22.2

0.054
250

0.10

300

0.05
0
0

50

100

150
t (min)

19

0.12

30.6

200

250

300

0.047

19.5
17.4

0.05

0.042

Example 5.2
ln CA

50

-0.6931

0.3

-1.20397

50

38

-0.9676

0.186

-1.68201

100

30.6

-1.1842

0.12

-2.12026

ln [

= +

-2.0000

-1.5000

-1.0000

-0.5000

0.0000
0
-0.5
-1

150

25.6

-1.3626

0.08

-2.52573

200

22.2

-1.5051

0.05

-2.99573

-1.5
-2
y = 2.0868x + 0.2912

250

19.5

300

17.4

-1.6348

0.047

-3.05761

-3
-3.5

= 2.0868

20

-2.5

CA

Summary of Topic 2
1.

Find
.

2. Plot

3. Slope is (reaction order).

21

END OF LECTURE

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