Names:

Helian Tekeste (21137005)

Qi Xiu Lin (21026645)

Influence of temperature on CSTR

This experiment lays the focus on a continuous stirred tank reactor (CSTR).

Objectives

● to determine the conversion at different temperatures in a CSTR

● to determine the steady operating points depending on the temperature in a CSTR

Materials and Methods

Table 1: Material list

Chemicals Concentration

NaOH 0.2M

C4H8O2 0.2M

Equipment

CSTR Module

Procedure

1. The tank was filled with NaOH with the prepared 0.2M NaOH solution up to the 2.5L mark.
The tank was filled with ethyl acetate with the prepared 0.2M ethyl acetate solution up to the
2.5L mark. The product tank was emptied.
2. The electrical connection for the Conductivity/Temperature were made for 1 and 2.
3. The heater was turned on and the temperature was set to 25˚C.
4. The pump P1 was turned on.
5. The measurement data acquisition program was started, and the time curve and the X-Y
recorder were called up.
6. The initial concentration (=0.2M) was entered and the final conductivity (=7.0mS/cm).
 7. The overflow was set to 8cm and this value was entered into the measurement data
acquisition program.
8. When the reactant tank had reached the selected temperature, the [lambda0] button was
pressed in the measurement data acquisition program to confirm. a. The initial conductivity is
saved b. The program saves a new data record twice every second.
9. The stirring machine was turned on.
10. The volumetric flow rate of P2 – P4 was set to 𝜐𝑃2 =60ml/min.
11. The pumps P2 – P4 were switched on
12. The conductivity curve 𝜆2 was observed in the time curve of the measurement data
acquisition program. If the value for 𝜆2 remains constant for 3 minutes, this means that a
steady operating point has been reached.
13. On the time curve, the data was exported by right-clicking, and selecting ‘Export Data’ from
the menu. The data was transferred to the X-Y recorder. On the X-Y recorder, the Record Data
Set button was clicked to create an operating point in the X-Y diagram from the transferred
data.
14. The temperature controller was used to increase the target temperature by 10K (35oC)
15. 15. Pumps P2 – P4 were switched off until the reactant tank B1 (containing NaOH) has
reached the desired temperature.
16. Pumps P2 – P4 were switched on again. Till the temperature T2 was constant.
17. Steps 12-16 were repeated with the temperature 45˚C.
18. The pumps heaters stirrers were switched off and the data was exported and saved.

Information on the reaction

Saponification of ethyl acetate:
NaOH + CH3COOC2H5 → CH3COONa + C2H5OH
Ca0 = Cb0 = 0.2 M
k1 (k at 25˚C) = 6.43 𝑙/𝑚𝑜𝑙 ∙ 𝑚𝑖𝑛
Ea = 46.5 𝐾𝐽/𝑚𝑜𝑙 (Petek & Krajnc, 2012)
VCSTR = 78.7 𝑚𝑙/𝑐𝑚 ∙ 8𝑐𝑚 = 628𝑚𝑙
𝜐 = 60𝑚𝑙/𝑚𝑖𝑛 ∙2 = 120𝑚𝑙/𝑚𝑖𝑛, because both of the reactant have the same flow rate
Temperature: 25.59˚C (298.59 K), 34.75˚C (307.75 K), 41.49˚C (314.49 K)

Equations
Reaction rate equation: -r = kCaCb
𝐹𝑎0⋅ 𝑋𝑎
Volume of CSTR: VCTSR = −𝑟𝑎
Flow rate equation: 𝐹𝑎0 = 𝐶𝑎0 ⋅ 𝜐0
Constant volume reaction: 𝜐0 = 𝜐
𝑉𝐶𝑆𝑇𝑅
Residence time: 𝜏 = 𝜐
𝑘1 𝐸𝑎 1 1
Arrhenius equation to calculate k at different temperature: ln = ( −𝑇 )
𝑘2 𝑅 𝑇1 2
Results
Experimental results

Table 2: Recorded values at different temperature

Temperature of Conductivity, Residence time, outlet Conversion, Xa
the reactor in K 𝜆2 in mS/cm 𝜏 in min concentration of in %
NaOH, Ca in mol
298.59 K 12.74 5.04 0.04339 56.61
 307.75 K 12.26 5.03 0.0397 60.30
314.49 K 11.72 5.11 0.03564 64.36

Theoretical results

In order to calculate the theoretical conversion of Xa, the rate constants k2 and k3 at their specific
temperatures are calculated as such using the Arrhenius equation:

𝑘2 46500 1 1
ln   = ( − )
6.43 8.314 298.59 307.75
𝑙
𝑘2 = 11.23 
𝑚𝑜𝑙 ∙ 𝑚𝑖𝑛
Similarly, k3 is calculated:
𝑙
𝑘3 = 16.58 
𝑚𝑜𝑙 ∙ 𝑚𝑖𝑛

Using MATLAB, the theoretical conversion of Xa is calculated by solving the following problem:

𝑚𝑜𝑙 𝑚𝑙
(0.2 
⋅ 120  𝑚𝑖𝑛 ⋅ 𝑋𝑎)
628𝑚𝑙 = 𝑙  
𝑙 𝑚𝑜𝑙 𝑚𝑜𝑙 𝑚𝑜𝑙
6.43  𝑚𝑜𝑙 ⋅ 𝑚𝑖𝑛 ⋅ 0.2  𝑙 (1 − 𝑋𝑎) (0.2  𝑙 − 0.2  𝑙 𝑋𝑎)

Xa at 25.59˚C = 0.682, 68.2%

Xa at different temperatures were found similarly.

The theoritical residence time can be found as such:

628 𝑚𝑙
𝜏= = 5.23  min
𝑚𝑙
120  𝑚𝑖𝑛

Table 3: Theoritical values at different temperature

Temperature of the Rate constant in l/mol Residence time, in min Conversion, Xa in %
reactor in K min
298.59 K 6.43 5.23 68.2
307.75 K 11.23 5.23 74.8
314.49 K 16.58 5.23 78.7
Figure 1: Theoritical and experimental conversion values at given temperatures

Discussion
It can be seen from the graph that the conversion increases with increasing temperature
theoretically and experimentally. According to the Arrhenius equation, the rate of a reaction increases
with increasing temperature. This is because higher temperatures provide more thermal energy to the
reactant molecules, which allows more of them to overcome the activation energy barrier for the
reaction to proceed.

Furthermore, the experimental value of conversion is lower compared to the theoritical value. It could
be because other factors were not considered during the calculations, such as Le Chatelier's principle.
Saponification of ethyl acetate is exothermic. Therefore if Le Chatelier's principle was to be
considered, increasing the temperature of reaction would have pushed the reaction to the reactant side
and less product would be produced. Clearly, the increase in the rate of reaction was significant
enough to drive the reaction forward, however, it might explain why it is of a lower value.

Conclusion

In conclusion, the results of this experiment reveal a clear correlation between the increase in
temperature and the conversion rate during the saponification of ethyl acetate in a Continuous Stirred
Tank Reactor (CSTR). Both the theoretical and experimental findings align with the predictions of the
Arrhenius equation. However, an observed discrepancy between the experimental and theoretical
conversion rates points to the potential impact of factors not initially considered. Future investigations
could further explore the precise impact of other potential factors, such as the actual value of
activation energy at a given temperature, presence of a catalyst or impurities, the exact concentration
of reactants, or variations in pressure, to refine the accuracy of the theoretical models. Nevertheless,
this experiment underscores the important influence of temperature on the rate and extent of chemical
reactions.

References
 Petek, A., & Krajnc, M. (2012). The enthalpy and entropy of activation for ethyl acetate
saponification. International Journal of Chemical Kinetics, 44(10), 692–698.
https://doi.org/10.1002/kin.20712