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Calculation & Discussion PFR CHE506

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RESULTS

Table 1 - Data Collection for Calibration Curve Preparation in Experiment 1.

Solution Mixture
Concentration Conductivity
Conversion 0.1 M 1.1 M H2O
NaOH Et (Ac) of NaOH (M) (mS/cm)

0% 100 mL - 100 mL 0.0500 16.00


25% 75 mL 25 mL 100 mL 0.0375 7.60
50% 50 mL 50 mL 100 mL 0.0250 5.36
75% 25 mL 75 mL 100 mL 0.0125 3.09
100% - 100 mL 100 mL 0.0000 78.8x10-6

Conversion vs Conductivity
18
16
14
f(x) = − 0.15 x + 13.71
12 R² = 0.91
Conductivity (Q)

10
8
6
4
2
0
0 10 20 30 40 50 60 70 80 90 100
Conversion (X)

Figure shows the graph of Conversion (X) against Conductivity (Q) obtained from calibration
curve preparation in Experiment 1.

The graph shows the graph of conversion versus conductivity. The conversion is decreasing as the
conductivity increase.

LAB REPORT ON PLUG FLOW REACTOR (L5) 15


Experiment 2: Effect of Residence Time on the Reaction

Table 2 - A Constant Flowrate Recorded at Flowmeters FI-01 and FI-02

Initial Flowrate of
Solutions Inlet Conductivity, Q1 Outlet Conductivity, Q2
(mS/cm) (mS/cm)
(mL/min)
Pump 1 300 8.5 7.5

Pump 2 300 8.5 7.5

 Information added:

a) Reactor Volume, VPFR :4L


b) Concentration of NaOH in feed vessel, CNaOH,f : 0.1 M
c) Concentration of NaOH in the reactor, CNaOH : 0.1 M
d) Concentration of HCl for quenching, CHCl,s : 0.25 M
e) Volume of HCl for quenching, VHCl,s : 10 mL
f) Volume of sample, Vs : 50 mL

LAB REPORT ON PLUG FLOW REACTOR (L5) 16


Table 3 - Data collection Obtain from Experiment 3

Flowrate Flowrate Total Residence Conductivity Volum Conversion Reaction Rate pf


of NaOH of Et (Ac) Feed Time (mS/cm) e of (X) Rate Reaction
(mL/min (mL/min) Flowrate (min) NaOH Constant -rA
) of (mL) (K) (mol/L.min)
Solution (L/mol.min
(mL/min Q1 Q2 )
)

300 300 600 6.67 8.5 7.5 18.0 0.72 3.2143 0.0252
250 250 500 8.00 8.3 7.2 17.0 0.68 2.6563 0.0272
200 200 400 10.00 7.8 6.9 16.0 0.64 2.222 0.0288
150 150 300 13.33 7.6 6.4 14.5 0.58 1.7262 0.0305
100 100 200 20.00 7.2 6.1 14.2 0.568 1.6435 0.0307
50 50 100 40.00 6.8 5.5 13.8 0.552 1.5402 0.0309

Conversion vs Residence Time


0.8

0.7

0.6

0.5
Conversion (X)

0.4

0.3

0.2

0.1

0
0 10 20 30 40
Residence Time

Figure Shows The graph of Conversion, X, against Residence time, τ, obtained from the
calculations in experiment 3.
The graph shows the plot of conversion versus residence time. The curve shows a major
decreasing pattern until t = 20 min, and slowly becoming constant approaching t = 40 min.

LAB REPORT ON PLUG FLOW REACTOR (L5) 17


8.0 CALCULATIONS

 These calculations were determined for the flowrates of 300 mL/min: -

A. Calculation for Residence Time, τ.

Reactor Volume , VPFR( L)


Residence Time , τ=
L
Total Feed Flowrate , Vo( )
min

1. Total flowrates of sodium hydroxide, NaOH, and ethyl acetate, Et (Ac) are,

Total flowrate, Vo = Flowrate of NaOH + Flowrate of Et (Ac)

= 300 mL/min NaOH + 300 mL/min Et (Ac)

= 600 mL/min

= 0.6 L/min

4L
Thus, Residence Time, τ =
0.6 L/min
= 6.67 min

B. Calculation for Conversion, X.

1. Concentration of NaOH entering the reactor, CNaOH,o

CNaOH,f
CNaOH,o =
2
0.1 M
=
2
= 0.05 M

LAB REPORT ON PLUG FLOW REACTOR (L5) 18


2. Volume of unreacted quenching HCl, V2

CNaOH,s
V2 = × V1
CHCl,s
0.1 M
=
0.25 × 18.0 mL
M
= 7.2 mL

3. Volume of HCl reacted with NaOH in the sample, V3

V3 = VHCl,s − V2

= (10 – 7.2) mL
= 2.8 mL

4. Moles of HCl reacted with NaOH in the sample, n1

n1 = CHCl x V3

mol 1L
0.25 x 2.8 mL x
L 1000 mL

= 0.0007 mol

5. Moles of unreacted NaOH in sample, n2

n2 = n 1
= 0.0007 mol

6. Concentration of unreacted NaOH in the reactor, CNaOH

n2
CNaOH =
Vs
0.0007 mol 1000 mL
=
1L
×
50 mL
= 0.0.014 M
7. Conversion of NaOH in the reactor, XNaOH

CNaOH
Xunreacted =
CNaOH,o
0.014 M
= = 0.28
0.05
M
Xreacted = (1 − Xunreacted) × 100%

= (1 − 0.28) × 100%
= 72%

C. Calculation for Reaction Rate Constant, k.

vo X
k ( )
VTFR 1
=
CAo −
X

1. Total feed flowrate, vo = 0.5 L/min


2. Volume of reactor, VTFR =4L
3. Inlet concentration of NaOH, CAo, in the reactor = 0.1 M
4. Conversion, X = 0.72

 All the values above are substituting into the rate constant equation where,

L
k= [ 0.5
min
( 4 L ) ( 0.1 M ) ]( 0.72
)
( 1−0.72 )
=3.2143
L
mol .min
D. Calculation for Rate of Reaction. -rA.

−rA = kCACB

CA = CAo(1 − X)

CB = CBo(1 − X)
Since CAo = CBo,

2 2
−rA = k(CAo) (1 − X)

 From the equation above, the rate of reaction obtained is,

L mol 2 mol
(
−r A = 3.2143
mol . min )(
0.1
L )
(1−0.72)2=0.0252
L . min

❖ NOTE: The same way of calculations was used to evaluate the residence time, conversion,
reaction rate constant and rate of reaction for different flowrates of 250 mL/min, 200
mL/min, 150 mL/min, 100 mL/min and 50mL/m
Discussion
The experiment for this plug flow reactor (PFR) is mainly carried out for a saponification
reaction between sodium hydroxide, NaOH, and ethyl acetate, Et(AC). Then, the reaction rate
constant is calculated by using a formula and the effect of residence time on the conversion in
PFR. This experiments were conducted by using the SOLTEQ Plug Flow Reactor (Model BP 101)
where NaOH and Et(Ac) solution were fed into the reactor by varying the flow rates of the feed
to obtain residence time and the effect of each flow rates is studied.

Next, a calibration curve for the conductivity versus conversion is also prepared for
saponification reaction of Et(Ac) and NaOH. In the calibration curve of conductivity versus
conversion, the slope and y-axis intercept value are determined from the equation of the curve
yield. Based on graph of conversion vs conductivity, the slope is - 0.146, while the y-axis
intercept is 13.712.

For this experiment, initial feed flowrates, conductivity value and volume of NaOH used
are different for the titration process which are tabulated in Table 3. According to the data, the
residence time, conversion of the reactions and the reaction rate constant is determined using
a series of calculation through formula designed for plug flow reactor experiment.

Not only that, graph of conversion against residence time is plotted. The residence time
and the conversion of the reaction is calculated by using formula. The reactors residence time is
obtained by dividing the reactor volume with the total feed flow rates while the conversion is a
property that shows how much of the reaction take place which is the number of moles of A
that reacted per mole of A fed to the system.

According to the graph of conversion vs residence time, the conversion of the reaction is
inversely proportional to the residence time of the reactant in the reactor. It shows that the
conversion decrease with the increase of the residence time. The conversion shows initially a
steady drop upon reaching certain time as the residence time increase but then the conversion
begins to drop only a little towards the end. Apparently, residence time shows the average
duration that a particle spends in a particular system and conversion is a direct function of time
spent for the reaction. Supposedly, the conversion should be proportional to the residence time
whereas this experiment shows the opposite. With this, it can be seen that some error may
have occurred during the experiment as the result contrast the theory.

The reaction rate constant, k for every different initial feed flowrate is 3.2143 L/mol.min
for flow rate 300 mL/min. As for flow rate 250 mL/min the k-value is 2.6563 L/mol.min and
reaction rate constant for 200 mL/min is 2.222 L/mol.min. For flow rate 150 mL/min the k-value
is 1.7262. Finally, for 100 mL/min and 50 mL/min the reaction rate constant is 1.6435 L/mol.min
and 1.5405 L/mol.min respectively. It can be seen that the reaction rate constant decreased
when the feed flowrate decreased as well. Thus, showing that the rate of chemical reaction at
constant temperature depends only on the concentrations of the substances that influence the
rate according to the law of mass action

Lastly, the rate of reaction, -rA has also been determined. The rate of reaction for 300
mL/min is 0.0252 mol/L.min while for rate of reaction for 250 mL/min is 0.0272 mol/L.min.
Then for flow rate 200 mL/min, the rate of reaction is 0.0288 mol/L.min. 0.0305 mol/L.min is
rate of reaction of 150 mL/min. For 100 mL/min and 50 mL/min the rate of the reaction is
0.0307 mol/L.min and 0.0309 mol/L.min. This indicates that when the reaction rate constant
decreases, the rate of reaction also decreases. The specific rate constant is proportionally
constant relating the rate of the reactions to the concentrations of reactants. A rate law is an
expression showing the relationship of the reaction rate to the concentrations of each
reactants.

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