Chemical Engineers Department

17CHME11I

Chemical Reaction
{Batch Reactor}

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 Abstract
The aim of the experiment is to determine the reaction order of sodium hydroxide with ethyl
acetate and the value of rate constant for this homogeneous liquid phase reaction. putting 0.25L
of NaOH with 0.25L of ethyl acetate in a batch reactor, at each period of time take a sample and
titrate it with Hal and using a mathematical method to determine the concentration of NaOH. The
reaction is second order and the rate constant (K) equal 0.6849 (1/N.min).

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 Table of Content
Introduction 4

Experimental Method and Procedure 7

Experimental Results & Discussion 8

Conclusion 13

Source of Error 14

Reference 15

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 Introduction

Chemical kinetics is a branch of science that used to describe chemical reaction mechanism,

in another word, is study of reaction rate, rearrangement of atom and effects of different variable
such as concentration and pressure. At the microscopic level we focused on atom motion and
collides, while at macroscopic level we concerned in amount formed, reacted and rates of their
formation. In order to provide a discussion of chemical reaction mechanism the following
considerations must be made. Firstly, reactant atoms must be collides withe each other in the
reaction, secondly atoms should have enough energy in order to initiate the reaction, thirdly the
orientation of molecules during collision must be satisfy Espenson(2002).

Batch reactor is vessel that consist of a tank with a device called agitator that use to put
substance into motion by using stirring as well as integral heating or cooling system or both of
them together as shown in the figure (A-1) Lanny(1998).

Fig.A-1 -Symbol batch reactor

design. Adapted from New York:
Longman Scientific

In a batch reactor reactants are mixing together and placed in a vessel of reactor that provide
heating to initiate the reaction as well as provide a cooling system for the products, so batch
reactor considered as closed system used for reactions that required long time and unsteady state
condition. Batch reactor usually used in the operation that cannot occur in the continuos reactor
because batch reactor have high conversion to form products at small period more than normal
reactor Lanny(1998).

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 Batch reactor used widely in pharmaceutical industry because this industry requires small
amounts of products with hight quality therefor batch reactor are used because it provide a high
degree of conversion in a small period of time, it can use to make a lot of products consecutively,
well for producing large amount of products as yet in testing phase and batch reactor jackets
provide a constant heating or cooling heat flux Scott(2011).

Fig.A-2 example o batch reactor that use in

pharmaceutical industry and it has a temperature range
between 50 - 1250C as well as vary pressure from full
vacuum to 6 atm. Pfaudler Inc., Rochester, NY

The reaction orders is defied as a relation between the concentration of reactants and the rate
of the reaction. If the reaction rate for specific reaction has been determine the reaction order
also can be determine by collect the exponents of each concentration of reactants for example, in
the reaction below the order of reaction will be x + y.

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There are different ways to determine the reaction order. Differential method considered as a one
of the common method that used to determine the reaction order. In this method we use obtained
data from the experiment to determine the reaction order with respect to reactant A that charged
in the reaction. For example, In the table A.3 run 1 and 2 can be used to determine the exponent
of reactant A and run 1 and 3 can be used to determine the exponent of reactant B, therefore, the
reaction order will equal the sum of each exponent Atkins(2006).

figure A.3-Date for the reaction at

constant temperature (80oC)

This table show different reaction orders

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 Experimental Method and Procedure

Burette.

Symbol Batch
Reactor. Adapted from lab manual,

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 Experimental Results & Discussion

NaoH + CH3COOC2H6 ——> C2H5OH + CH3COONa

A + B ——> C + D

Unreacted concentration of NaOH:

5mL of previous sample + 10ml HCl.
HCl + NaOH ——> NaCl + H2O

(n total of Hcl = n Hcl that reacted with NaoH + n Hcl remaining)

Time (min) Volume of unreacted NaOH in titration (L)

5 (6.3 / 1000) = 0.0063
10 0.007
15 0.0075
20 0.0078
25 0.0082

To calculate the concentration of A at each time in above table:

n total of Hcl = 0.1N HCl x0.01L = 0.001 g.mol HCl
n Hcl remaining = (NNaOH) (Vof unreacted NaOH)
After 5min:
n Hcl remaining = (0.1N HCl) (0.0063) = 0.00063 g.mol HCl
n Hcl that reacted with NaoH = n total of Hcl - n Hcl remaining
n Hcl that reacted with NaoH = 0.001 - 0.00063 = 0.00037 g.mol NaOH
CA1 = (no. of moles of NaOH) / (Total Volume of mixture)
CA1 = (0.00037 g.mol NaOH) / (0.005L) = 0.074 g.mol NaOH / L

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After 10 min:
n Hcl remaining = (0.1N HCl) (0.007) = 0.0007 g.mol HCl
n Hcl that reacted with NaoH = n total of Hcl - n Hcl remaining
n Hcl that reacted with NaoH = 0.001 - 0.0007 = 0.0003 g.mol NaOH
CA2 = (0.0003 g.mol NaOH) / (0.005L) = 0.06 g.mol NaOH / L
After 15 min:
n Hcl remaining = (0.1N HCl) (0.0075) = 0.00075 g.mol HCl
n Hcl that reacted with NaoH = n total of Hcl - n Hcl remaining
n Hcl that reacted with NaoH = 0.001 - 0.00075 = 0.00025 g.mol NaOH
CA3 = (0.00025 g.mol NaOH) / (0.005L) = 0.05 g.mol NaOH / L
After 20 min:
n Hcl remaining = (0.1N HCl) (0.0078) = 0.00078 g.mol HCl
n Hcl that reacted with NaoH = n total of Hcl - n Hcl remaining
n Hcl that reacted with NaoH = 0.001 - 0.00078 = 0.00022 g.mol NaOH
CA4 = (0.00022 g.mol NaOH) / (0.005L) = 0.044 g.mol NaOH / L
After 25 min:
n Hcl remaining = (0.1N HCl) (0.0082) = 0.00082 g.mol HCl
n Hcl that reacted with NaoH = n total of Hcl - n Hcl remaining
n Hcl that reacted with NaoH = 0.001 - 0.00082 = 0.00018 g.mol NaOH
CA5 = (0.00018 g.mol NaOH) / (0.005L) = 0.036 g.mol NaOH / L

Time (min) 0 5 10 15 20 25
CA 0.074 0.06 0.05 0.044 0.036
(g.mol /L) 0.1

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 For zero order reaction: Time (min) CA (g.mol /L)

CAi = CAo - Kt 0.1

0
The relation between CAi and time(min) : 0.074
5
10 0.06

15 0.05

20 0.044

25 0.036
0.1
y = -0.0024x + 0.0907
R² = 0.9247
0.09

0.08

0.07

0.06
(g.mol /L)
CA

0.05

0.04

0.03

0.02

0.01

0
0 3 6 9 12 15 18 21 24 27 30
Time (min)

Coefficient of determination (R2) is the ratio of the difference in the dependent variable that is
foreseeable from independent variable.The value of (R2 = 0.92) is less than (R2) of represented
data in first and second order reaction, which mean the line miss some points and there are 92%
of the variability between two variables are accounted and 8% unaccounted, therefore zero order
not represent the order of reaction.

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 For first order reaction: Time (min) ln( CA0 / CA )
ln( CA0 / CA ) = Kt 0
0
The relation between ln( CA0 / CA ) and time(min): 0.3011
5
0.5108
10
0.6931
15
0.8209
20
1.0216
25
1.2
y = 0.0391x + 0.0687
R² = 0.983
1.08

0.96

0.84

0.72
Ln( CA / CAo)

0.6

0.48

0.36

0.24

0.12

0
0 3 6 9 12 15 18 21 24 27 30
Time (min)

Coefficient of determination (R2) is the ratio of the difference in the dependent variable that is
foreseeable from independent variable.The value of (R2 = 0.98) is less than (R2) of represented
data in second order reaction but it greater than those in zero order , which mean the line miss
some points and there are 98% of the variability between two variables are accounted and 2%
unaccounted, therefore first order not represent the order of reaction.

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 For second order reaction: Time (min) 1/ (CA)
1/CA - 1/CA0 = Kt 10
0
The relation between 1/CA and time(min): 13.5135
5
16.6666
10
20
15
22.7272
20
27.7777
25
28
y = 0.6849x + 9.8859
25.2 R² = 0.9932
22.4

19.6

16.8
1 / CA

14

11.2

8.4

5.6

2.8

0
0 3 6 9 12 15 18 21 24 27 30
Time (min)

Coefficient of determination (R2) is the ratio of the difference in the dependent variable that is
foreseeable from independent variable.The value of (R2 = 0.99) is close to 1 more than values
that obtained in zero and first order, which mean the line not miss the points a lot. So, there are
99% of the variability between two variables are accounted and 1% unaccounted and this
considered as the best represented of the points, therefore second order represent the order of
reaction.
K= slope = 0.6849 (1/N.min)
-rA= - dCA / dT = kC2A where the CA= CB ( conc.of NaOH = conc. of ethyl acetate)
-rA= 0.6849 C2A.


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 Conclusion
The aim of the experiment was to determine the order of the reaction between NaOH and
ethyl acetate as well as determine the rate constant. The purpose of the experiment is
accomplished by using a batch reactor to carry the reaction and a titration method to calculate the
volume of unreacted NaOH as well as using a mathematical method to study concentration
change through the time.

In this experiment we draw three relations between the concentration of NaOH versus time in
a three different orders of the reaction ( zero, first and second order) in order to calculate the
value of (R2) that represent how the points lie within the line. For the second order reaction
R2 = 0.99 and this considered as a best represented of experimental values compared with (R2) of
zero and first order reaction which mean the reaction is second order and From the slope of
graph we can calculate the rate constant slope = K = 0.6849 (1/N.min). 


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 Source of Error

The Error maybe occurs during calibrating of batch reactor device specially when start to
calibrate the temperature and pressure in a batch reactor. To avoid this error batch reactor should
be calibrated carefully as well as repeated the experiment more than time.

There are different types of errors occurs in titration process which affect negatively in the
volume of unreacted NaOH, therefore, the calculated values of the concentration will have some
degree of error. There are a fixed error in burette called standard error = ( maximum error / value
of measurement ) x100 = (0.05 / 25) x100= 0.2%. Also uncertainty must be calculated because
any experimental result should be taken in form of best estimation( + )or( - ) uncertainty. At the
end of the reaction of sodium hydroxide and Hydrochloric acid the indicator does not change
immediately therefore much amount of HCl will used in the titration this error called end point
error.

Physical error considered as a common error in our experiment such as error that caused by
our eye's failure to read the accurate level of the liquid in burette. The vessel of the batch reactor
maybe has some impurities which affect negatively on the main reaction. The solution in burette
takes a shape of concave curve which make a difficult to read the exact volume. To prevent this
type of error reading must be taken more than time and the burette reading should be taken at
lower section of concave curve.

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 Reference

- Espenson.J. 2002.Chemical Kinetics & Reaction Mechanisms, p.254-256 ISBN 0-07-288362-6.

- Lanny. D .1998.The Chemical Reactor.New York: Oxford University. ISBN 0-88246-160-5.

- Scott. H. 2011. An Introduction to Chemical Engineering Kinetics and Reactor Design.7th ed.
New York: McGraw-Hill Inc., 1997: 7-15 - 7-17. Print.

- Atkins. J. 2006. Physical Chemistry (8th ed.), p.797-8 ISBN 0-7167-8759-8.

- Lab manual , 2017-2018, bue, Egypt, Process Chemical Reaction,n Laboratory.module code
17CHME11I.

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