HEC 3622

REACTION ENGINEERING

Lab Title: Isothermal Operation of a Batch Reactor

Group Members:

4318145 Chng Chung Yew

4320743 Danielle Teo Eh Shian

4312236 Idris Khalfan Abdullah Al-Brashdi

4317769 Joseph Kee Guang Sing

4320751 Lim Leong Chea

4320328 Liza Melia Anak Terry

TABLE OF CONTENTS
ABSTRACT............................................................................................................................... 1
1.0 PROBLEM STATEMENT ............................................................................................. 2
1.1 Objectives .................................................................................................................... 2
1.2 Saponification................................................................................................................... 2
1.3 Rate Constant .............................................................................................................. 2
1.4 Integral Method ........................................................................................................... 3
1.5 Differential Method ..................................................................................................... 3
2.0 METHODOLOGY ......................................................................................................... 4
2.1 Materials ........................................................................................................................... 4
2.2 Methods ............................................................................................................................ 4
3.0 RESULTS AND DISCUSSIONS ................................................................................... 5
3.1 Integral method ........................................................................................................... 6
3.2 Differential method ................................................................................................... 10
5.0 CONCLUSION ............................................................................................................. 16
6.0 CASE STUDY .............................................................................................................. 16
6.1 Aims ............................................................................................................................... 16
6.2 Background .................................................................................................................... 17
6.3 Reactor Design ............................................................................................................... 17
6.3.1 Batch Reactor .......................................................................................................... 17
6.3.2 Continuous Stirred Tank Reactors (CSTRs) ........................................................... 20
6.4 Discussion ...................................................................................................................... 23
7.0 REFERENCES ............................................................................................................. 23
8.0 APPENDICES .............................................................................................................. 24
LIST OF FIGURES
Figure 1: Batch reactor design ................................................................................................. 17
Figure 2: CSTR design............................................................................................................. 20

LIST OF TABLES

Table 1: Three type of integrated rate law. ................................................................................ 3

Table 2: Data for Time, CA and 1/CA at Temperature of 298 K. .............................................. 6
Table 3: Data for Time, CA and 1CA at Temperature of 308 K................................................. 6
Table 4: Data for Time, CA and 1CA at Temperature of 318 K................................................. 7
Table 5: Rate constant for temperature at 298 K, 308 K and 318 K.......................................... 8
Table 6: Information Used for Plotting the Graph of ln k against 1/T. ..................................... 8
Table 7: Data used for plotting graph of ln dCAdt against lnCAat temperature of 298 K. .. 11
Table 8: Data used for plotting graph of ln dCAdt against lnCAat temperature of 308 K. .. 12
Table 9: Data used for plotting graph of ln dCAdt against lnCAat temperature of 318 K. .. 13
Table 10: Results Obtained for Differential Method. .............................................................. 14
Table 11: Data used to plot the graph of ln k against 1/T. ....................................................... 14
Table 12: Results Comparison between Integral Method and Differential Method. ............... 15
Table 13: Stoichiometric Table for equimolar amounts of A and B feed. ............................... 19
Table 14: Stoichiometric Table for equimolar amounts of A and B feed. ............................... 21
Table 15: The summary of properties of reactant and product with different conversion in 12
hrs............................................................................................................................................. 22
Table 16: Information for Both Reactants. .............................................................................. 24
Table 17: Basic Information for Calculation. .......................................................................... 24

LIST OF GRAPHS

Graph 1: Graph of concentration and conversion of NaOH against time. ................................. 5

Graph 2: Graph of 1/CA against time at different temperature. ................................................. 7
Graph 3: Graph of ln k against 1/T. ........................................................................................... 9
Graph 4: Graph of against at temperature of 298 K. .................................. 11
Graph 5: Graph of ln against lnat temperature of 308 K. ................................... 12
Graph 6: Graph of against at temperature of 318 K. .................................. 13
Graph 7: Graph of lnk against 1/T. .......................................................................................... 14
ABSTRACT
This project consists of experiment section and case study section. In the experiment section,
a comparative investigation of saponification reaction was conducted in a stirred batch
reactor. Hydrolysis of ethyl acetate (EtAc) with sodium hydroxide (NaOH) was the reaction
chosen for the analysis. The aim of the experiment is to examine how the temperature affects
the reaction rate constant and conversion of NaOH in the stirred batch reactor. The
experiments were conducted at temperature of 298K, 308K and 318K. Integral method is
used to determine the reaction rate constant, frequency factor ( ) and activation energy (E)
of the reaction. Also, differential method is used to determine reaction rate constant,
frequency factor ( ), activation energy (E), overall reaction order and reaction order of
NaOH and EtAc. Arrhenius equation is applied in both methods for evaluating the frequency
factor and activation energy. The results obtained from both methods are compared and
discussed. In the case study section, the performances of batch reactor and CSTR are
analysed by using the data obtained from the experiment. Based on the reactor performances
analysis, CSTR is suggested to be used in the company.

1
1.0PROBLEM STATEMENT
1.1 Objectives
The objective of the experiment is to study saponification reaction of ethyl acetate with
sodium hydroxide in a stirred batch reactor under isothermal operation. The reaction rate
constants are evaluated for temperature at 298K, 308K and 318K respectively by using
differential and integral method. The relationship between the conversion of NaOH and
temperature is discussed. Besides that, the frequency factor and activation energy of the
reaction are determined from Arrhenius Plot. Then, the overall reaction order and reaction
order with respect to each reactant are determined.

1.2 Saponification
Saponification is a process where oil or fats are mixed together with the addition of alkali.
The product of this process will be soap and glycerine. In the experiment, saponification
reaction is performed by mixing ethyl acetate with diluted sodium hydroxide. It can be
identified as a second-order rate and irreversible reaction. The equation involved is:

+ 3 2 5 3 + 2 5

Sodium Hydroxide + Ethyl Acetate Sodium Acetate + Ethyl Alcohol

From this experiment, the product will be sodium acetate and ethanol. Sodium acetate (soap)
will be the desirable product of the reaction. This process is carried out under the batch
reactor kinetic analysis.

1.3 Rate Constant

The reaction rate constant K is not truly a constant; it is defined as an independent of the
concentrations of the species involved in the reaction. It may be defined as the rate of the
reaction when the concentration of each reactant is taken as unity. As shown in the Arrhenius
equation, ka, is fully dependant on temperature. The equation is expressed as:

Ka = A

2
1.4 Integral Method
Integral Method is a common practise to determine the kinetic rate constant and is defined by
the measurement of concentration with the function of time. The method uses most or all of
the experimental data in determining the rate constant. Before attempting this kinetic
analysis, the stoichiometry of the reaction must be identified. Following are the common
order of laws to calculate for kinetic analysis:

Table 1: Three Type of Integrated Rate Law

Zeroth order integrated rate law: A plot of [A] versus t will be linear with
[] = [0 ] a slope of k.
First order integrated rate law: A plot of ln[A] versus t will be linear
[] = [0 ] with a slope of k.
Second order integrated rate law: A plot of 1/[A] versus t will be linear
1 1
[]
= [ + 2 with a slope of 2k.
0]

These three types of plots are used to determine the values of reaction rate constant at
different temperatures and the activation energy.

1.5 Differential Method

Some of the kinetic system cannot be solved or analysed by the integral method, with or
without the use of an excess. Differential method has the advantage if the allowing one to use
all of the experimental data.

For constant volume batch reactor with nth order reaction, the equation can be written as:

= ( ) = +


From the equation, a graph
vs can be plotted from the data and will obtain a

straight line whose the slope gives the order of the reaction (n) and whose intercept gives the
logarithm of the rate constant ().

3
2.0METHODOLOGY
2.1 Materials
2.9 g solid sodium hydroxide
4.9ml ethyl acetate
Distilled water

2.2 Methods
1. 2.9g of solid sodium hydroxide and 4.9ml of ethyl acetate were diluted to make up 0.5L
of solution respectively.
2. Isothermal operation mode was chosen and Hot Water Circulator was set up.
3. Settings on the PID loop were adjusted and 25 C is set as a set point.
4. The batch reactor was filled with 0.5 L of sodium hydroxide solution. The reactor agitator
is set to 50 % and Power on is pressed to start the agitation. Then Hot Water
Circulator is pressed and water will start to recirculate through jacket reactor and vessel.
5. The collection and storage of conductivity data are involved as the experiment, the data
output port in the plinth must be connected to the computer with Armfield Interface data
logger. The data logging of conductivity, temperatures and stirrer speed values will have
enabled at selected time intervals over a selected period.
6. Data will be collected until a stable condition is reached in the reactor and this takes
roughly 30 minutes. It is advisable to set the data collection period as 45 minutes. (In this
experiment, the data collection period is set as 40 minutes.)
7. Hot Water Circulator is switched on. The temperature of the sodium hydroxide in the
reactor vessel will begin to rise and will be maintained automatically at the desired set-
point (25 C in this instance) by the action of the HWC in the jacket.
8. 0.5 L of ethyl acetate solution was carefully added to the reactor.
9. The data was generated and recorded in the computer automatically.
10. The experiment was repeated at temperature at 35 C and 45 C by repeating from step 1
until step 9.

4
3.0 RESULTS AND DISCUSSIONS
The saponification reaction involved:

+ 3 2 5 3 + 2 5

+ +

The basis used in the calculation is NaOH which is represented by A.

Concentration and Conversion of NaOH Against Time

1.00 0.07

0.80 0.06

Concentration NaOH , mol/L

0.60 0.05

0.40 0.04
X NaOH

0.20 0.03

0.00 0.02
0 500 1000 1500 2000 2500 3000
-0.20 0.01

-0.40 0.00
Time (s)

T=298 K T=308 K T=318 K T=298 K T=308 K T=318 K

Graph 1: Graph of concentration and conversion of NaOH against time.

Based on Graph 1, it is shown that the concentration of sodium hydroxide (NaOH) decreases
with time and its conversion increases at the same time. This is because NaOH is reacted with
ethyl acetate (CH3COOC2H5) with in the saponification reaction and converted into the
products. Besides that, it also shows that the higher the temperature, the higher the
conversion of NaOH. However, the conversion of NaOH decreases at the temperature of
318K. This means that the reaction works the best at the temperature of 308K which it shows
the highest conversion of NaOH.

5
3.1 Integral method
Assume the reaction is a second order reaction, = 2.

= = 2

=
2
Integrate both sides:


=
2 0

k is the constant,

1
2 =
0

1 1
+ =

1 1

= +
------------------------------------ Equation 1

Compare Equation 1 with the general equation of a straight line, = + :

1 1
Y , m k, t, C (y-intercept)

1
Thus, graph of
against t is plotted for temperature of 298 K, 308 K and 318 K.

Table 2: Data for Time, CA and 1/CA at Temperature of 298 K

Temperature, K Time, s CA, ,

298 0 0.05744 17.4102
10 0.05526 18.0962
20 0.05316 18.8100

2410 0.009628 103.8597

1
Table 3: Data for Time, and at Temperature of 308 K


Temperature, K Time, s CA, ,

308 0 0.05533 18.0733
7 0.05394 18.5401
17 0.05148 19.4243
27 0.04934 20.2666

2417 0.00621 161.044

6
 1
Table 4: Data for Time, and at Temperature of 318 K


Temperature, K Time, s CA, ,

318 0 0.06627 15.0892
10 0.06294 15.8883
20 0.05989 16.6983

2400 0.00840 119.003

Then, data from these three tables are used to plot a combined graph of against time (t).

1/CA vs Time
200
y = 0.0589x + 34.503
180 R = 0.9645

160

140 y = 0.0404x + 38.008

R = 0.8942
1/CA 120
(L/mol)
100
y = 0.0345x + 28.407
80 R = 0.9712

60

40

20

0
0 500 1000 1500 2000 2500 3000
Time (s)
T=298K T=308K T=318K

Graph 2: Graph of 1/CA against time at different temperature.

From Graph 2, the rate constants of the reaction for temperature at 298 K, 308 K and 318 K
can be obtained as these values equal to the gradient of the respective straight line.

7
 Table 5: Rate Constant for Temperature at 298 K, 308 K and 318 K

Temperature, K Equation of the Straight Line Rate constant (),
298 = 0.0345 + 28.407 0.0345
308 = 0.0589 + 34.503 0.0589
318 = 0.0404 + 38.008 0.0404

The activation energy (E) and frequency factor ( ) can be determined by using Arrhenius
Equation:

=

1
ln = ln ----------------------------------- Equation 2

= Specific reaction rate constant

= frequency factor
E = activation energy (J mol-1 K-1)
R = gas constant (J mol-1 K-1)
T = temperature (K)

Compare Equation 2 with the general equation of a straight line = + ,

1
Y ln ; m ; ; c ln
1
Thus, graph of ln against can be plotted.

Table 6: Information Used for Plotting the Graph of ln k against 1/T

Temperature (T), K 1/T, K-1 Rate constant (k), ln k
298 0.003356 0.0345 -3.36680
308 0.003247 0.0589 -2.83191
318 0.003145 0.0404 -3.20893

8
 ln k vs 1/T
-2.8
0.0031 0.00315 0.0032 0.00325 0.0033 0.00335 0.0034
-2.9

-3
y = -794.5x - 0.5545
ln k -3.1 R = 0.0931

-3.2

-3.3

-3.4
1/T , K-1

Graph 3: Graph of ln k against 1/T.

From the equation of Graph 3, = 794.5 0.5545, it shows that (y-intercept) is

0.5545.

Hence, = 0.5545 = 0.574 .

Also, it shows that (gradient) is -794.5.

= 794.5 , where R = 8.314

Thus, = 794.5 x 8.314

= 6605.47

=6.60547

9
3.2 Differential method
Since it is a constant volume batch reactor, we can reduce the general equation of

+ = into = .

= , where = , where and are order reaction respect to the reactant

As CAO = CBO & CA = CB,

= + = , where is overall order of reaction

Take ln for both sides,

ln = ln( ) = ln + ln

ln = ln + ln -------------------- Equation 3

Compare Equation 3 with the general equation of a straight line = + :

Y ln ; m ; ln ; c ln

Thus, graph of ln against ln can be plotted for temperature at 298 K, 308 K and

318 K.

10

Table 7: Data Used for Plotting Graph of Against at Temperature of 298 K


Temperature, K Time, s CA, ln(CA) -dCA/dt, ln(-dCA/dt)
.
298 0 0.057437 -2.85706
10 0.055260 -2.8957 2.18E-04 -8.43226
20 0.053163 -2.93439 2.10E-04 -8.46991
30 0.051358 -2.96893 1.81E-04 -8.6197
40 0.049779 -3.00017 1.58E-04 -8.75323
50 0.048067 -3.03517 1.71E-04 -8.67262

850 0.016137 -4.12664 1.48E-05 -11.1201

Sample calculation to get (for time = 10 s):

,10 ,0
=

(0.055260 0.057437 )
=
10

= 2.18104
.

= 2.18104 .

ln(-dCA/dt) vs ln(CA)
0
-4.5 -4 -3.5 -3 -2.5 -2 -1.5 -1 -0.5 0
-2

-4
y = 2.4973x - 1.1922
R = 0.894
-6 ln(-dCA/dt)

-8

-10

-12

-14
T=25 C ln(CA)

Graph 4: Graph of against at temperature of 298 K.

11

ln = ln + ln

From the equation of Graph 4, = 2.4973 1.1922, it shows that (y-intercept) is
1.1922.

Hence, 1 = 1.1922 = 0.30355 .

Also, it shows that (gradient) is 2.4973.

Hence, = 2.4973 2.5

Table 8: Data Used For Plotting Graph of Against at Temperature of 308 K


Temperature, K Time, s CA, ln(CA) -dCA/dt, ln(-dCA/dt)
.
308 0 0.055330 -2.89443
7 0.053937 -2.91994 0.000199 -8.52209
17 0.051482 -2.96652 0.000246 -8.31215
27 0.049342 -3.00898 0.000214 -8.44964
37 0.047495 -3.04712 0.000185 -8.59694

737 0.011862 -4.4344 1.34E-05 -11.2225

ln(-dCA/dt) vs ln(CA)
0
-5 -4.5 -4 -3.5 -3 -2.5 -2 -1.5 -1 -0.5 0
-2

y = 2.0473x - 2.2787
-4
R = 0.9246

-6 ln(-dCA/dt)

-8

-10

-12

-14
T=35 C ln(CA)

Graph 5: Graph of against at temperature of 308 K.

From the equation of Graph 5, = 2.0473 2.2787, it shows that (y-intercept) is

2.2787.

Hence,2 = 2.2787 = 0.1024 .

12
Also, it shows that (gradient) is 2.0473.
Hence, = 2.0473 2 .

Table 9: Data Used For Plotting Graph of Against at Temperature of 318 K


Temperature, K Time, s CA, ln(CA) -dCA/dt, ln(-dCA/dt)
.
318 0 0.066273 -2.71398
10 0.062939 -2.76558 0.000333 -8.00639
20 0.059886 -2.8153 0.000305 -8.09424
30 0.057375 -2.85815 0.000251 -8.28936
40 0.054552 -2.9086 0.000282 -8.17256
50 0.052247 -2.95177 0.00023 -8.37551

830 0.01221 -4.40552 1.33E-05 -11.2269

ln(-dCA/dt) vs ln(CA)
0
-5 -4.5 -4 -3.5 -3 -2.5 -2 -1.5 -1 -0.5 0
-2

-4
y = 2.2642x - 1.5686

ln(-dCA/dt)
R = 0.9408
-6

-8

-10

-12

-14
ln(CA)
T=45 C

Graph 6: Graph of against at temperature of 318 K.

From the equation of Graph 6, y = 2.2642 1.5686 , it shows that k (y-intercept) is

1.5686.

Hence, 3 = 1.5686 = 0.2083 .

Also, it shows that (gradient) is 2.2642.

Hence, = 2.2642 2.3 .

13
 Table 10: Results Obtained for Differential Method

Temperature, K Rate constant (k), . Actual Approximate
298 0.30355 2.4973 2.5
308 0.1024 2.0473 2.0
318 0.2083 2.2642 2.3

Next, Arrhenius Equation is applied again to find the frequency factor (0 ) and activation
energy (E).

=
1
ln = ln

As mentioned in the section of integral method, values of the gradient and y-intercept from
the graph can be used to determine the frequency factor (0 ) and activation energy (E).

Table 11: Data Used To Plot the Graph of ln K Against 1/T

Temperature (T), K 1/T (K-1) ln k
K, .
298 0.003356 0.30355 -1.1922
308 0.003247 0.1024 -2.2789
318 0.003145 0.2083 -1.5688

ln k vs 1/T
0
0.0031 0.00315 0.0032 0.00325 0.0033 0.00335 0.0034

-0.5

y = 1875.7x - 7.7743
-1 R = 0.1287

ln k
-1.5

-2

-2.5
1/T ,K-1

Graph 7: Graph of lnk against 1/T.

14
From the equation of Graph 7, = 1875.7 7.7743, it shows that (y-intercept) is
7.7743.

Hence, = 7.7743 = 4.2040 104 .

Also, it shows that (gradient) is 1875.7.

= 1875.7 , where R = 8.314

Thus, = 1875.7 x 8.314

= 15594.57

= 15.5947

Table 12: Results Comparison between Integral Method and Differential Method
Integral Method Differential Method
0.0345 0.30355
Rate Constant at 298K( ), .
0.0589 0.10240
Rate Constant at 308K ( ), .
0.0404 0.20830
Rate Constant at 318K ( ), .

Frequency Factor ( ), . 0.5740 4.2040 104
6.60547 -15.5947
Activation Energy (E),
Approximate 2.5
Approximate Not applicable 2.0
Approximate 2.3

Based on the Table 12, it shows that the reaction rate constant varies with the temperature.
The calculated values by using both methods are different as well. For integral method, the
reaction has the highest reaction rate constant at 308 K and lowest reaction rate constant at
298 K. On the other hand, for differential method, the reaction has the lowest rate constant at
308 K and highest rate constant at 298 K.

Next, the calculated values of frequency factor by using both methods are not the same.
Integral method shows the higher value of frequency factor when compared with the
differential method.

15
Furthermore, when comparing the calculated activation energy of the reaction for both
methods, it shows the huge difference between each other. Integral method shows the
activation energy in positive value while differential method shows negative value of
activation energy. In the article, Ahmad Mukhtat et al. (2015) stated that their finding about
the activation energy from the saponification reaction is in positive value which is about
43.094 kJmol-1. Hence, it can be proven that differential method has lower accuracy for
evaluating the activation energy of saponification reaction.

By using differential method, the overall order of reaction () obtained is approximately 2.

The values obtained are varies with the temperature as well. As mentioned in the previous
section, = + , (order reaction of A) and (order reaction of B) can be determined by
knowing the value of . Thus, value of (order reaction of A) and (order reaction of B) is
1 respectively. In addition, the assumption made about the second order of reaction is valid as
1
a linear graph of
against t can be obtained.

4.0 CONCLUSION
In conclusion, reaction rate constants at temperature of 298K, 308K and 318K can be
determined by using the integral method and differential method. It is proven that the reaction
rate constants are fully temperature dependent. The reaction works best at the temperature of
308K with the highest conversion of NaOH. The frequency factors obtained from integral and
differential method are 0.574 L/s.mol and 4.204010-4 L/s.mol respectively. Besides that, the
activation energy obtained from integral method and differential method are 6.60547 KJ/mol
and -15.5947 KJ/mol. From the differential method, it proves that the overall reaction order is
2 and order reaction for A and B is 1.

5.0 CASE STUDY

5.1 Aims
The main purpose of this section is to investigate and compare the reactor performance regard
to the conversion of reactant as well as production of product for saponification of ethyl
acetate (CH3COOC2H5) with sodium hydroxide (NaOH) in constant volume isothermal batch
reactor and Continuous Stirred Tank Reactors (CSTRs). After that, the reactor performances
under given conditions are discussed and the type of reactor should be used in the company is
suggested.

16
5.2 Background
The saponification of ethyl acetate (CH3COOC2H5) with sodium hydroxide (NaOH) is a
second order and irreversible reaction that represented by the following equation:

CH3COOC2H5 + NaOH CH3COONa + C2H5OH

A + B C + D

The given process conditions are the volume of reactor remain constant as 1800 L,
concentration of initial reactants is identical as 50 mol per litre and reaction carried out
isothermally at 25C. Our group has been assigned the task of recommending the type of
reactor should be use depend on maximum conversion of reactant and production of product
within a given time period of 12hrs under the process conditions mentioned.

5.3 Reactor Design

5.3.1 Batch Reactor

Assumptions:

Well mixed.
Closed system.
No spatial variation in system properties.

Figure 1: Batch reactor design

Mole Balance:

I. The conversion of reactant in term of number of moles:

0
=
0
II. Rearranging gives:
= 0 (1 )
III. Differentiating with respect to time gives:

= 0

17
IV. For well mixed:

=

For constant volume:

( )

= =

Rate Law:

The reaction is second order, irreversible and equimolar, thus the rate law is:

-rA = k CACB

Since CA0 = CB0

Rate Law: -rA= CA2

Stoichiometry:

= 0 (1 )

= 0 (1 )

Combine:

= = 0 2 (1 )2

dC A dX
Since = C Ao
dt dt

= 0 (1 )2

Integration:

2
= 0
0 (1 ) 0

= 0
1

1
=
0 1

18
Sample Calculation:

Given:

3
Time,t = 12hrs Rate constant, k at 25C = 0.0345 Initial concentration of A, 0 = 50mol/L

By applying the derived equation:

1
=
0 1

3600 1
12hrs = 3 1

1 (0.0345 )50
13

74520 =

74520 74520 =

74520
= 174520 = 0.99

, 0.99.

Table 13: Stoichiometric Table for equimolar amounts of A and B feed.

Species Initial Change Remaining

A NAo -NAoX NA = NAo(1-X)
B NBo = NAo -NAoX NB = NAo(1-X)
C NCo = 0 +NAoX NC = NAoX
D NDo = 0 +NAoX ND = NAoX
Total: NTo 0 NTo = NT

The conversion of reactant:

NA = NAo (1-X) = 50
1800 (1 0.99) = 900

The production of product:

ND = NAoX = 50
1800 0.99 = 89 100 mol

19
5.3.2 Continuous Stirred Tank Reactors (CSTRs)

Assumptions:

Steady State.
Well mixed.
No spatial variation in system properties.
Constant volumetric flow rate, = 0

Figure 2: CSTR design

Mole Balance:

0
=

Rate Law:
=
Since CA0 = CB0

Rate Law: = 2

Combining:

Since 0 = 0 0

0 0 0 0
= 0 2 (1)2
= 2 2
= 2
0 (1) 0 [(1) ]

0
=
0 [(1 )2 ]

Sample Calculation:

Given:

V=1800L

3
Initial concentration of A, 0 = 50mol/L Rate constant, k at 25C = 0.0345

20
By applying the derived equation:

0
=
0 [(1 )2 ]

As the conversion, X is 0.99

(0 [(1 )2 ])
0 =

3
1800 (0.0345 50 [(1 0.99)2 ])
0 =
0.99

0 = 0.3136

The Flow rate, 0 :

0 = 0 0

0 = 50 0.3136


0 = 15.68

Table 14: Stoichiometric Table for equimolar amounts of A and B feed.

Species Initial Change Remaining

A FAo -FAoX FA = FAo(1-X)
B FBo = FAo -FAoX FB = FAo(1-X)
C FCo = 0 +FAoX FC = FAoX
D FDo = 0 +FAoX FD = FAoX
FTo 0 FTo = FT
For the time period of 12 hrs,

The conversion of reactant:

= 0 (1 ) 12

3600
= 15.68 12 (1 0.99)
1

= 6773.76

The production of product:

= 0 () 12

21
 3600
= 15.68 (0.99) 12
1

= 670602.24

Table 15: The Summary of Properties of Reactant And Product With Different Conversion in
12 Hrs.

Volumetric Flow rate Initial of

Conversion Remaining of Production of
flow rate ( ), reactant,

rate reactant, mol product, mol
( ) , mol

0.99 0.3136 15.68 67 7376 6 773.76 670 602.24

0.75 258.75 12937.5 5.589 108 1.397 108 4.192 108
0.50 1552.5 77625 3.353 109 1.677 109 1.677 109
0.25 6986.25 349312.5 1.51 1010 1.132 1010 3.773 109

22
5.4 Discussion
For a period of 12 hours, the conversion of the sodium hydroxide is 99 %, which is
from the initial value of 90000 mol reduced to 900 mol. Furthermore, the production of the
sodium acetate is 89100 mol after 12 hrs. However, for the CSTR with the conversion of 99
3
% and rate constant, k, of 0.0345 , the initial amount of sodium hydroxide reduced

form 67 7376mol to 6 773.76mol and the production of the sodium acetate is 670 602.24mol.

According to the result, the production of sodium acetate in CSTRs is greater than
batch reactor with the identical rate constant and conversion rate within 12 hrs. Thus, the
company should use the CSTR to produce sodium acetate. The flow rate, 0 and the

volumetric flow rate, 0 for the process condition with 99 % conversion is 15.68
and

0.3136 respectively. For other conversion rate, the respective flow rates use as well as the

conversion of sodium hydroxide and production of sodium acetate are shown in Table 15.

6.0 REFERENCES
Ahmad Mukhtar, Umar Shafiq, Ali Feroz Khan, Hafiz Abdul Qadir & Masooma Qizilbash
2015, Estimation of parameters of Arrhenius equation for ethyl acetate saponification
reaction, Research Journal of Chemical Sciences, vol.5, no.11, pp. 46-50.

23
7.0 APPENDICES
Calculations:

Part 1: Mass of NaOH and Volume of EtAc Required for Dilution

Table 16: Information for Both Reactants.

Final Volume Molecular

Molarity (M), Density (),
Reactants after dilution weight (MW),
mol/L g/cm3
( ), L g/mol
Sodium Hydroxide 0.5 0.1 40 2.13
(NaOH)
Ethyl Acetate 0.5 0.1 88 0.90
(EtAc)

To find the required mass of 0.1 M NaOH:

=

= 0.1 40 0.5 = 2.0

To find the required volume of 0.1 M EtAc:
1
=

1 3
= 0.1
88 0.5 0.9
1
= 4.9 3
1 3
= 4.9

Part 2: Calculations to find conversion of NaOH at T = T1 = 25 using formula.

Table 17: Basic Information for Calculation.

Reactor temperature, T 25C (298 K)

Concentration of NaOH in feed bottle, 0.1
Concentration of EtAc in feed bottle, 0.1 M

Volume of NaOH after dilution, 0.5 L

Volume of EtAc after dilution, 0.5 L

24
Find the initial concentration of NaOH and EtAc and total volume in the reactor:

The initial concentration of NaOH in mixed feed, 0

=
+

0.1 0.5
=
0.5 + 0.5

= 0.05

The initial concentration of EtAc in mixed feed, 0
=
+

0.1 0.5
=
0.5 + 0.5

= 0.05

Total volume in the reactor vessel, = +
= 0.5 L + 0.5 L
= 1.0 L
Find the concentration of EtAc in the reactor at time t, :

For 0 < 0 , = 0 ; 0 0 , = 0

In this case, 0 = 0

Hence, = 0 = 0 = 0.05

Find the initial conductivity of NaOH, and conductivity of NaAc, after time, :

For T 294 , = 0.070[1 + 0.0284( 294)]

0 = 0.195[1 + 0.0184( 294)]0
Since T = T1 = 298K ( 294)

= 0.070[1 + 0.0284(298 294)]0.05


= 3.8976 103


0 = 0.195[1 + 0.0184(298 294)] 0.05

= 0.0105

Assume 0 = 0 , inital conductivity, 0 = 0

0 = 0.0105

25
Find the concentration of NaOH at time t, :

For 0 < 0 , = 0 ; 0 0 , = (0 0 )
In this case, 0 = 0
= (0 0 ) = 0
Find the conductivity at time t, :

If 0 , = 0.195[1 + 0.0184( 294)]

Since = 0, = 0

= + = 3.8976 103

Find the concentration of NaOH in reactor at time t, :

0 1
1 = ( 0 ) + 0
0

(0.0105 0.007)
= (0 0.05) + 0.05
(0.0105 3.8976 103 )


= 0.0235

Find the concentration of NaAc in reactor at time t, :

As 0 = 0, 1 = 0 1
0

(0.01050.007)
= 0.05


(0.01053.8976103 )


= 0.0265

Find the conversion of NaOH, :

0 1
=
0

(0.050.0235)
=

0.05

= 0.53

26