1. Chemical Reaction Scale-up Lab Report
Nazia Aslam, Thiha Thway
4/27/2018
Dr. Aderangi

2. Table of Contents
Nomenclature Page
Abstract 1
Introduction 2
Experimental Procedure 3 - 4
Tabulated Data 4 - 16
Sample Calculation 16 - 17
Discussion and Conclusion 18
Plots and Table 19 - 23

3. Abstract
The objective of this experiment is to study the hazards of a small scale exothermic reaction for
the safe scale-up of the same exothermic reaction in a continuous stirred tank reactor, and how
reaction conditions of an exothermic reaction changes depending on the size of the reactor
volume.
We carried out a batch operation of an exothermic reaction which was studied to allow us to
design a continuous stirred tank reactor operation of the same exothermic reaction. Systems
studied were mainly reaction kinetics.
We expected our results to show a sharp contrast in reaction behavior in different sized flasks
because different size to volume ratios of flasks used affected the temperature gradients and
concentration gradients of solutions within the flask which in turn affected the values of the heat
transfer coefficient and temperature values. Higher values of heat transfer coefficient were
expected for the 1000ml sized flask than to the 150ml flask.
The major problems encountered during our experiment was the use of an ineffective stir bar
and an ice bath whose temperature was not constant. However, the stir bar was later replaced
with a stirring rod and this produced much better results of temperature versus time. In the
continuous stirred tank reactor, the ice bath will be replaced by a cooling jacket of containing
flowing water at 250
C.
1.

4. Introduction
An exothermic reaction is a chemical reaction that releases heat to the surroundings. The
energy needed to initiate the exothermic reaction is less than the energy released from the
reaction.
Controlling an exothermic reaction is important as without cooling or sufficient heat removal
some exothermic reactions can lead to explosions. If heat is not removed from the system when
an exothermic reaction is going on, the build up of heat in the system and an increase in
temperature will further increase the rate of reaction as the reaction proceeds. Thus, leading to an
increase in generation of heat and eventually a thermal runaway will occur.
In this experiment a batch operation of the exothermic iodide-catalyzed decomposition reaction
of hydrogen peroxide into water and oxygen was carried out.
H2O2 (l) + KI (l) → H2O (l) + O2 (g) ∆Ho
= - 98 kJ/mol
Rate = - d[H2O2]/dt = k0 exp (-Ea / R.T )[H2O2][ I -
] (Clark et al., 2018)
Difference between heat generated and heat removed from the system is, C.m.(dT/dt ) =
-V.∆Ho.
(rate) + U.A. (Ti – T), where C is the specific heat in J/kg.K, m is the mass of the
solution in kg, V is the reaction volume in L, U is the overall heat transfer coefficient in W/m2
K,
A is the area available for heat transfer in m2
, Ti is the temperature of the ice bath, and T is the
reaction temperature.
Solving the last two equations simultaneously provides information for T and [H2O2] in the
reactor as a function of time. This will vary in the different sized beakers. However, before this
can be done the heat transfer coefficient has to be solved for each beaker using the equation (Ti -
To) / (Ti – T) = exp(U.A.t/C.m). Here To is the initial temperature of a known mass of water.
2.

5. Experimental
On the first day, an iodide-catalyzed decomposition of hydrogen peroxide reaction was carried
out. In a 1000ml beaker containing a stirring magnet, 150 mL of H2O2 solution and 50mL of
0.1M of KI were added. Before addition of the two solutions to the beaker, initial temperatures
of both KI and H2O2 were recorded. After addition of the two solutions in the beaker,
temperature was recorded every ten seconds using a stopwatch and a thermocouple. However,
after several minutes temperature of the solution started to increase at an alarming rate.
To decrease the chances of a thermal runaway from occurring again, the experiment was
repeated with a diluted solution of H2O2 and with an ice bath. Before this could be done, several
runs of titration were carried out to find the actual percentage of H2O2 in its solution. From
titration, the solution was found to contain approximately 40% of H2O2, a higher amount than
what was thought to be known. This solution of H2O2 was then diluted to a solution containing
25% H2O2.
Repetition of the experiment with a newly prepared diluted solution was then carried out twice
in two different sized beakers and volumes of solutions. In a 1000ml beaker containing a stirring
magnet, 150mL of 25% H2O2 solution and 50ml of 0.1M of KI solution were added. In a 150ml
beaker containing a stirring magnet, 30ml of 25% H2O2 solution and 15 ml of 0.1M KI solution
were added. In addition, each beaker was added in an ice bath and before mixing of the two
solutions the initial temperatures of both solutions and the ice bath were recorded. The level of
the water in the ice bath was also adjusted to match the total volume of solution in the respective
beaker. Once the solutions were added, temperature was recorded every ten seconds using a
stopwatch and a thermocouple.
This experiment was repeated once more in both the 1000ml beaker and the 150ml beaker,
using the same volumes of solutions that were used previously in their respective beakers.
However, this time, a stirring rod was used instead of a stirring magnet, to allow better mixing of
the solution in the beaker, and temperature was recorded every ten seconds with a LabView
program. A total of four runs of the peroxide decomposition reaction was carried out and graphs
of temperature versus time for each run was plotted.
Values of heat transfer coefficients of the 1000 ml and a 150ml beaker also needed to be
known. In a 1000ml flask containing a stirring magnet 150ml of cold water and 50ml of hot
water was added. In a 150ml flask containing a stirring magnet, 30 ml of cold water and 15 ml of
hot water was added. Each beaker was placed in an ice bath. Initial temperatures of the cold
water, hot water, and the ice bath were recorded. Once mixing of the different temperatures of
water began, temperatures were recorded every ten seconds using a thermocouple and a
stopwatch. A graph of ln (Ti-T0)/(Ti-T) versus time was plotted for both the 1000ml beaker and
the 150ml beaker. The total volumes of water in each beaker was equal to the total volume of
solution that was added to their respective beaker. This was to ensure that the heat transfer area
was the same. The heat transfer coefficient of the beaker was found by multiplying the slope of
the graph with (C.m/A) with C being the heat capacity of water 4185.5 J/kg..K, m is the total
3.

6. mass of water in the beaker in kg, and A is the heat transfer area in m2
.
Flask Size (mL) Volume of 25% Peroxide
Solution / Volume of Cold
Water (mL)
Volume of 0.1M KI/ Volume
of Hot Water (mL)
150 30 15
1000 150 50
Tabulated Data
Peroxide Decomposition in 150mL Beaker
Elapsed
Time (s) T (o
C)
Elapsed
Time (s) T (o
C)
Elapsed
Time (s) T (o
C)
Elapsed
Time (s) T (o
C)
10 7.7 500 13.8 990 15.2 1480 14.3
20 9.3 510 13.9 1000 15.2 1490 14.2
30 9 520 13.8 1010 15.7 1500 14.2
40 8.9 530 13.9 1020 15.3 1510 14.2
50 9.6 540 14 1030 15.2 1520 14.1
60 9.1 550 14.1 1040 15.3 1530 14
70 9.2 560 14.5 1050 15.3 1540 14
80 9.2 570 14.4 1060 15.3 1550 14
90 9.2 580 14.6 1070 15.3 1560 14
100 9.3 590 14.3 1080 15.3 1570 14
110 9.4 600 14.3 1090 15.3 1580 13.9
120 9.5 610 14.2 1100 15.3 1590 13.9
130 9.6 620 14.6 1110 15.3 1600 13.8
140 9.8 630 14.6 1120 15.3 1610 13.8
150 9.9 640 14.6 1130 15.3 1620 13.8
160 10 650 14.9 1140 15.2 1630 13.7
170 10.2 660 14.8 1150 15.2 1640 13.7
180 10.3 670 15 1160 15.1 1650 13.7
190 10.4 680 14.5 1170 15.1 1660 13.7
200 10.6 690 14.6 1180 15 1670 13.7
210 10.7 700 14.9 1190 15.1 1680 13.6
220 10.8 710 14.5 1200 15 1690 13.5
230 11 720 14.5 1210 15 1700 13.5
240 11 730 14.9 1220 15.2 1710 13.4
250 11 740 15 1230 15 1720 13.4
260 11.2 750 14.5 1240 15 1730 13.4
270 11.3 760 15 1250 15 1740 13.6
280 11.4 770 15 1260 15 1750 13.5
290 11.4 780 15.3 1270 15 1760 13.5
300 11.5 790 15.7 1280 14.5 1770 14.1

7. 310 11.6 800 15 1290 14.5 1780 13.3
320 11.6 810 15.2 1300 14.5 1790 13.1
330 11.7 820 15 1310 14.6 1800 13.1
340 12 830 15.7 1320 14.6 1810 13.1
350 12 840 15.7 1330 14.7 1820 13
360 12.1 850 15 1340 14.7 1830 13
370 12.3 860 15.2 1350 14.6 1840 13
380 12.4 870 15 1360 14.6 1850 13
390 12.5 880 15 1370 14.6 1860 12.9
400 12.5 890 15.3 1380 14.6 1870 12.9
410 12.6 900 15.3 1390 14.6 1880 12.8
420 12.6 910 15.2 1400 14.6 1890 12.8
430 12.5 920 15.2 1410 14.6 1900 12.8
440 13 930 15.3 1420 14.6 1910 12.7
450 13 940 15.5 1430 14.5 1920 12.6
460 13.2 950 15.3 1440 14.4 1930 12.6
470 13.3 960 15.2 1450 14.4 1940 12.6
480 13.4 970 15.3 1460 14.4 1950 12.5
490 13.4 980 15.4 1470 14.4 1960 12.5
1970 12.5
1980 12.4
1990 12.3

8. Peroxide Decomposition in 1000mL Beaker
Elapsed
Time (s) T (o
C)
Elapsed
Time (s) T (o
C)
Elapsed
Time (s) T (o
C)
Elapsed
Time (s) T (o
C)
0 9.3 500 28 1000 46 1500 23.7
10 10 510 27.8 1010 45 1510 23.2
20 10.1 520 28.4 1020 44.4 1520 23.1
30 10.1 530 29.2 1030 43.6 1530 22.9
40 10.4 540 30 1040 42.5 1540 22.6
50 10.5 550 30.6 1050 42.2 1550 22.6
60 10.7 560 31.1 1060 41.8 1560 22.3
70 10.9 570 32.1 1070 40.8 1570 22.2
80 11.3 580 33 1080 40.6 1580 22
90 11.6 590 33.6 1090 40 1590 21.8
100 11.9 600 34.2 1100 39.2 1600 21.6
110 12.3 610 35.8 1110 38.4 1610 21.4
120 12.6 620 36.7 1120 38.2 1620 21.1
130 12.9 630 37.5 1130 37.1 1630 20.8
140 13.1 640 38 1140 37.3 1640 20.6
150 13.5 650 38.7 1150 36.6 1650 20.4
160 13.9 660 40.2 1160 36.1 1660 20.1
170 14.2 670 41.4 1170 35.7 1670 20.1
180 14.6 680 42.4 1180 35.1 1680 19.9
190 14.7 690 42.9 1190 34.7 1690 19.5
200 15.2 700 43.1 1200 34.2 1700 19.3
210 15.4 710 43.7 1210 34 1710 19.4
220 15.8 720 43.7 1220 33.4 1720 19.2
230 16.2 730 43.3 1230 32.8 1730 19.1
240 16.4 740 42.9 1240 32.3 1740 18.8
250 16.8 750 44.9 1250 31.7 1750 18.8
260 16.7 760 45.8 1260 31.4 1760 18.5
270 16.9 770 47.3 1270 31.2 1770 18.3
280 17.1 780 47.8 1280 30.7 1780 18.2
290 15.8 790 47.1 1290 30.5 1790 18
300 16.6 800 48.4 1300 29.9 1800 17.8
310 17 810 47.3 1310 29.7 1810 17.6
320 16.7 820 47.8 1320 29.3 1820 17.5
330 15 830 47.5 1330 28.8 1830 17.3
340 17.5 840 47.5 1340 28.3 1840 17
350 19.2 850 46.4 1350 28 1850 17
360 20.5 860 46 1360 28.8 1860 17
370 21.1 870 47.7 1370 27.6 1870 16.9

9. 380 23 880 46.6 1380 27.2 1880 16.8
390 24.1 890 44.4 1390 26.6 1890 16.6
400 24.7 900 44.9 1400 26.5 1900 16.6
410 25.5 910 45.2 1410 26.3 1910 16.5
420 25.9 920 44.1 1420 25.7 1920 16.4
430 26 930 42.5 1430 25.5 1930 16.1
440 26.2 940 42.8 1440 25 1940 16
450 26.3 950 48.1 1450 25.1 1950 15.8
460 26.5 960 48.7 1460 24.9 1960 15.8
470 27.3 970 48 1470 24.6 1970 15.6
480 27.7 980 47.4 1480 24.3 1980 15.6
490 27.8 990 46.7 1490 24 1990 15.6

10. Peroxide Decomposition in 150mL Beaker (using LabView)
Elapsed
Time (s) T (o
C)
Elapsed
Time (s) T (o
C)
Elapsed
Time (s) T (o
C)
Elapsed
Time (s) T (o
C)
10 6.442 580 13.009 1150 13.431 1720 10.545
20 6.421 590 13.11 1160 13.376 1230 10.501
30 5.817 600 13.209 1170 13.301 1740 10.452
40 5.944 610 13.302 1180 13.23 1750 10.424
50 6.113 620 13.388 1190 13.183 1760 10.408
60 6.27 630 13.471 1200 13.117 1770 10.332
70 6.422 640 13.562 1210 13.074 1780 10.316
80 6.594 650 13.639 1220 13.016 1790 10.28
90 6.745 660 13.717 1230 12.966 1800 10.236
100 6.885 670 13.796 1240 12.889 1810 10.221
110 7.072 680 13.871 1250 12.847 1820 10.148
120 7.208 690 13.906 1260 12.772 1830 10.144
130 7.335 700 13.968 1270 12.729 1840 10.095
140 7.516 710 14.008 1280 12.652 1850 10.099
150 7.618 720 14.06 1290 12.624 1860 10.057
160 7.748 730 14.127 1300 12.547 1870 10.04
170 7.89 740 14.169 1310 12.484 1880 10.029
180 8.047 750 14.209 1320 12.453 1890 10
190 8.19 760 14.227 1330 12.372 1900 9.97
200 8.326 770 14.252 1340 12.337 1910 9.958
210 8.418 780 14.276 1350 12.302 1920 9.909
220 8.57 790 14.302 1360 12.214 1930 9.895
230 8.718 800 14.325 1370 12.169 1940 9.885
240 8.826 810 14.353 1380 12.11 1950 9.848
250 8.948 820 14.344 1390 12.067 1960 9.808
260 9.058 830 14.393 1400 12.01 1970 9.777
270 9.196 840 14.347 1410 11.951 1980 9.755
280 9.338 850 14.383 1420 11.91 1990 9.721
290 9.439 860 14.374 1430 11.873 2000 9.675
300 9.571 870 14.383 1440 11.83 2010 9.639
310 9.684 880 14.381 1450 11.79 2020 9.617
320 9.81 890 14.362 1460 11.723 2030 9.589
330 9.928 900 14.348 1470 11.688 2040 9.571
340 10.056 910 14.322 1480 11.639 2050 9.565
350 10.178 920 14.316 1490 11.597 2060 9.536
360 10.322 930 14.272 1500 11.551 2070 9.508
370 10.447 940 14.284 1510 11.5 2080 9.482
380 10.578 950 14.236 1520 11.449 2090 9.437
390 10.682 960 14.215 1530 11.391 2100 9.408

11. 400 10.8 970 14.181 1540 11.355 2110 9.41
410 10.927 980 14.154 1550 11.29 2120 9.407
420 11.077 990 14.124 1560 11.271 2130 9.366
430 11.177 1000 14.069 1570 11.237 2140 9.344
440 11.309 1010 14.061 1580 11.183 2150 9.321
450 11.43 1020 14.021 1590 11.14 2160 9.344
460 11.564 1030 13.979 1600 11.106 2170 9.289
470 11.7 1040 13.93 1610 11.07 2180 9.272
480 11.818 1050 13.885 1620 11.027 2190 9.255
490 11.956 1060 13.863 1630 10.972 2200 9.234
500 12.083 1070 13.812 1640 10.949 2210 9.22
510 12.203 1080 13.745 1650 10.884 2220 9.215
520 12.344 1090 13.717 1660 10.833 2230 9.198
530 12.467 1100 13.677 1670 10.789 2240 9.188
540 12.573 1110 13.628 1680 10.747 2250 9.133
550 12.674 1120 13.602 1690 10.709 2260 9.005
560 12.782 1130 13.511 1700 10.641 2270 8.811
570 12.918 1140 13.445 1710 10.594 2280 8.465
2290 8.079
2300 7.774
2310 7.588

12. Peroxide Decomposition in 1000mL Beaker (using LabView)
Elapsed
Time (s) T (o
C)
Elapsed
Time (s) T (o
C)
Elapsed
Time (s) T (o
C)
Elapsed
Time (s) T (o
C)
10 5.24 660 25.355 1310 32.055 1960 17.83
20 5.243 670 25.71 1320 31.85 1970 17.715
30 7.158 680 26.062 1330 31.641 1980 17.546
40 7.359 690 26.398 1340 31.436 1990 17.407
50 7.579 700 26.739 1350 31.167 2000 17.284
60 7.819 710 27.067 1360 30.945 2010 17.163
70 8.045 720 27.411 1370 30.707 2020 17.048
80 8.303 730 27.737 1380 30.454 2030 16.91
90 8.513 740 28.064 1390 30.214 2040 16.816
100 8.774 750 28.412 1400 29.968 2050 16.69
110 9.01 760 28.751 1410 29.727 2060 16.566
120 9.215 770 29.038 1420 29.489 2070 16.442
130 9.445 780 29.375 1430 29.246 2080 16.354
140 9.656 790 29.67 1440 29.019 2090 16.278
150 9.909 800 29.981 1450 28.764 2100 16.147
160 10.172 810 30.273 1460 28.512 2110 16.025
170 10.411 820 30.58 1470 28.29 2120 15.928
180 10.645 830 30.858 1480 28.033 2130 15.848
190 10.877 840 31.173 1490 27.788 2140 15.719
200 11.127 850 31.459 1500 27.565 2150 15.62
210 11.371 860 31.707 1510 27.305 2160 15.544
220 11.597 870 31.991 1520 27.086 2170 15.449
230 11.88 880 32.193 1530 26.828 2180 15.344
240 12.123 890 32.454 1540 26.606 2190 15.258
250 12.4 900 32.662 1550 26.416 2200 15.137
260 12.634 910 32.897 1560 26.18 2210 15.08
270 12.876 920 33.1 1570 25.925 2220 14.989
280 13.157 930 33.312 1580 25.708 2230 14.906
290 13.412 940 33.492 1590 25.478 2240 14.786
300 13.683 950 33.666 1600 25.236 2250 14.713
310 13.958 960 33.816 1610 25.002 2260 14.655
320 14.215 970 33.983 1620 24.687 2270 14.541
330 14.511 980 34.13 1630 24.37 2280 14.456
340 14.787 990 34.283 1640 24.005 2290 14.369
350 15.096 1000 34.369 1650 24.295 2300 14.285
360 15.37 1010 34.484 1660 23.247 2310 14.221
370 15.698 1020 34.567 1670 22.946 2320 14.13
380 15.976 1030 34.652 1680 22.654 2330 14.051
390 16.294 1040 34.735 1690 22.455 2340 14.014

13. 400 16.613 1050 34.784 1700 22.215 2350 13.887
410 16.905 1060 34.816 1710 21.979 2360 13.822
420 17.229 1070 34.845 1720 21.76 2370 13.747
430 17.533 1080 34.835 1730 21.563 2380 13.672
440 17.875 1090 34.851 1740 21.36 2390 13.592
450 18.21 1100 34.835 1750 21.156 2400 13.548
460 18.544 1110 34.805 1760 21.006 2410 13.456
470 18.889 1120 34.744 1770 20.801 2420 13.377
480 19.216 1130 34.718 1780 20.631 2430 13.326
490 19.543 1140 34.631 1790 20.436 2440 13.251
500 19.869 1150 34.557 1800 20.246 2450 13.193
510 20.208 1160 34.483 1810 20.075 2460 13.129
520 20.508 1170 34.362 1820 19.925 2470 13.059
530 20.884 1180 34.256 1830 19.753 2480 12.995
540 21.233 1190 34.133 1840 19.602 2490 12.925
550 21.57 1200 34.01 1850 19.444 2500 12.856
560 21.914 1210 33.876 1860 19.268 2510 12.835
570 22.25 1220 33.729 1870 19.108 2520 12.771
580 22.585 1230 33.54 1880 18.927 2530 12.676
590 22.938 1240 33.409 1890 18.81 2540 12.656
600 23.293 1250 33.202 1900 18.664 2550 12.603
610 23.638 1260 33.076 1910 18.523 2560 12.544
620 23.989 1270 32.863 1920 18.391 2570 12.512
630 24.339 1280 32.655 1930 18.22 2580 12.45
640 24.661 1290 32.468 1940 18.066 2590 12.373
650 25.028 1300 32.267 1950 17.958 2600 12.338

14. Hot and Cold Water in 150mL Beaker
Time(s) To (o
C) Ti (o
C) T (o
C) Ti-To/Ti-T Ln (Ti-To/Ti-T)
0 21.3 1.9 19.5 1.102273 0.097374
10 21.3 1.9 18.2 1.190184 0.174108
20 21.3 1.9 17 1.284768 0.250578
30 21.3 1.9 16.5 1.328767 0.284252
40 21.3 1.9 15.8 1.395683 0.333384
50 21.3 1.9 15.3 1.447761 0.370018
60 21.3 1.9 14.8 1.503876 0.408046
70 21.3 1.9 14.4 1.552 0.439544
80 21.3 1.9 13.9 1.616667 0.480366
90 21.3 1.9 13.5 1.672414 0.514268
100 21.3 1.9 13 1.747748 0.558328
110 21.3 1.9 12.8 1.779817 0.57651
120 21.3 1.9 12.3 1.865385 0.623467
130 21.3 1.9 12 1.920792 0.652738
140 21.3 1.9 11.6 2 0.693147
150 21.3 1.9 11.4 2.042105 0.713981
160 21.3 1.9 11 2.131868 0.756999
180 21.3 1.9 10.7 2.204545 0.790521
190 21.3 1.9 10.5 2.255814 0.813511
200 21.3 1.9 10.2 2.337349 0.849018
210 21.3 1.9 9.9 2.425 0.885832
220 21.3 1.9 9.7 2.487179 0.911149
230 21.3 1.9 9.6 2.519481 0.924053
240 21.3 1.9 9.4 2.586667 0.95037
250 21.3 1.9 9.2 2.657534 0.977399
260 21.3 1.9 9 2.732394 1.005178
270 21.3 1.9 8.8 2.811594 1.033752
280 21.3 1.9 8.6 2.895522 1.063166
290 21.3 1.9 8.5 2.939394 1.078203
300 21.3 1.9 8.3 3.03125 1.108975
310 21.3 1.9 8.2 3.079365 1.124723
320 21.3 1.9 8.1 3.129032 1.140724
330 21.3 1.9 7.9 3.233333 1.173514
350 21.3 1.9 7.7 3.344828 1.207415
360 21.3 1.9 7.6 3.403509 1.224807
370 21.3 1.9 7.5 3.464286 1.242506
380 21.3 1.9 7.4 3.527273 1.260525
390 21.3 1.9 7.3 3.592593 1.278874
400 21.3 1.9 7.2 3.660377 1.297566

15. 410 21.3 1.9 7.1 3.730769 1.316614
420 21.3 1.9 7 3.803922 1.336033
430 21.3 1.9 6.8 3.959184 1.376038
440 21.3 1.9 6.7 4.041667 1.396657
450 21.3 1.9 6.8 3.959184 1.376038
460 21.3 1.9 6.6 4.12766 1.417711
480 21.3 1.9 6.5 4.217391 1.439217
490 21.3 1.9 6.4 4.311111 1.461196
500 21.3 1.9 6.3 4.409091 1.483669
510 21.3 1.9 6.2 4.511628 1.506658
530 21.3 1.9 6.1 4.619048 1.530189
540 21.3 1.9 6 4.731707 1.554286
560 21.3 1.9 5.9 4.85 1.578979
590 21.3 1.9 5.8 4.974359 1.604297
600 21.3 1.9 5.6 5.243243 1.65694
610 21.3 1.9 5.5 5.388889 1.684339
640 21.3 1.9 5.4 5.542857 1.71251
650 21.3 1.9 5.3 5.705882 1.741498
660 21.3 1.9 5.2 5.878788 1.771351
680 21.3 1.9 5.1 6.0625 1.802122
690 21.3 1.9 5 6.258065 1.833871
710 21.3 1.9 4.9 6.466667 1.866661
730 21.3 1.9 4.6 7.185185 1.972021
740 21.3 1.9 4.5 7.461538 2.009762
750 21.3 1.9 4.7 6.928571 1.935654
760 21.3 1.9 4.6 7.185185 1.972021
770 21.3 1.9 4.7 6.928571 1.935654
780 21.3 1.9 4.6 7.185185 1.972021
810 21.3 1.9 4.5 7.461538 2.009762
820 21.3 1.9 4.4 7.76 2.048982

16. Hot and Cold Water in 1000mL Beaker
Time (s) To (o
C) Ti (o
C) T (o
C) Ti-T0/Ti-T Ln (Ti-T0/Ti-T)
10 20.9 2.2 18.5 1.147239 0.137358
20 20.9 2.2 18 1.183544 0.168514
30 20.9 2.2 17.8 1.198718 0.181253
40 20.9 2.2 17.2 1.246667 0.220473
50 20.9 2.2 16.6 1.298611 0.261295
60 20.9 2.2 16 1.355072 0.303855
90 20.9 2.2 15.9 1.364964 0.311128
110 20.9 2.2 15.4 1.416667 0.348307
120 20.9 2.2 15.3 1.427481 0.355911
130 20.9 2.2 15.1 1.449612 0.371296
140 20.9 2.2 15 1.460938 0.379078
150 20.9 2.2 14.8 1.484127 0.394827
160 20.9 2.2 14.6 1.508065 0.410827
180 20.9 2.2 14.4 1.532787 0.427088
190 20.9 2.2 14 1.584746 0.460424
230 20.9 2.2 13.9 1.598291 0.468935
240 20.9 2.2 13.7 1.626087 0.486176
250 20.9 2.2 13.6 1.640351 0.49491
260 20.9 2.2 13.4 1.669643 0.51261
280 20.9 2.2 13.3 1.684685 0.521578
290 20.9 2.2 13.1 1.715596 0.539761
310 20.9 2.2 13 1.731481 0.548977
320 20.9 2.2 12.9 1.747664 0.55828
330 20.9 2.2 12.6 1.798077 0.586718
340 20.9 2.2 12.7 1.780952 0.577148
370 20.9 2.2 12.6 1.798077 0.586718
390 20.9 2.2 12.5 1.815534 0.59638
400 20.9 2.2 12.3 1.851485 0.615988
410 20.9 2.2 12.2 1.87 0.625938
420 20.9 2.2 12.1 1.888889 0.635989
430 20.9 2.2 12 1.908163 0.646141
440 20.9 2.2 11.9 1.927835 0.656398
450 20.9 2.2 11.6 1.989362 0.687814
480 20.9 2.2 11.7 1.968421 0.677232
510 20.9 2.2 11.6 1.989362 0.687814
530 20.9 2.2 11.5 2.010753 0.698509
550 20.9 2.2 11.4 2.032609 0.70932
560 20.9 2.2 10.7 2.2 0.788457
570 20.9 2.2 10.5 2.253012 0.812268
580 20.9 2.2 10.3 2.308642 0.836659

17. 590 20.9 2.2 10.4 2.280488 0.824389
600 20.9 2.2 10.1 2.367089 0.861661
620 20.9 2.2 10 2.397436 0.8744
640 20.9 2.2 10.2 2.3375 0.849082
660 20.9 2.2 10 2.397436 0.8744
680 20.9 2.2 9.9 2.428571 0.887303
690 20.9 2.2 10 2.397436 0.8744
700 20.9 2.2 9.8 2.460526 0.900375
710 20.9 2.2 10.1 2.367089 0.861661
720 20.9 2.2 10 2.397436 0.8744
760 20.9 2.2 9.8 2.460526 0.900375
770 20.9 2.2 9.6 2.527027 0.927044
780 20.9 2.2 9.8 2.460526 0.900375
800 20.9 2.2 9.7 2.493333 0.913621
810 20.9 2.2 9.8 2.460526 0.900375
820 20.9 2.2 9.7 2.493333 0.913621
840 20.9 2.2 9.6 2.527027 0.927044
850 20.9 2.2 9.2 2.671429 0.982613
860 20.9 2.2 9.4 2.597222 0.954442
870 20.9 2.2 9.5 2.561644 0.940649
880 20.9 2.2 9.2 2.671429 0.982613
890 20.9 2.2 9 2.75 1.011601
910 20.9 2.2 8.8 2.833333 1.041454
920 20.9 2.2 9 2.75 1.011601
930 20.9 2.2 8.8 2.833333 1.041454
940 20.9 2.2 9 2.75 1.011601
950 20.9 2.2 8.8 2.833333 1.041454
970 20.9 2.2 8.5 2.968254 1.087974
1010 20.9 2.2 8.3 3.065574 1.120235
1030 20.9 2.2 8.2 3.116667 1.136764
1050 20.9 2.2 8.1 3.169492 1.153571
1060 20.9 2.2 8.2 3.116667 1.136764
1070 20.9 2.2 8.6 2.921875 1.072226
1080 20.9 2.2 8.2 3.116667 1.136764
1100 20.9 2.2 8 3.224138 1.170666
1110 20.9 2.2 8.2 3.116667 1.136764
1120 20.9 2.2 8 3.224138 1.170666
1130 20.9 2.2 8.2 3.116667 1.136764
1140 20.9 2.2 8 3.224138 1.170666
1150 20.9 2.2 7.9 3.280702 1.188057
1160 20.9 2.2 8 3.224138 1.170666
1170 20.9 2.2 7.9 3.280702 1.188057
1200 20.9 2.2 8 3.224138 1.170666

18. 1220 20.9 2.2 7.9 3.280702 1.188057
1230 20.9 2.2 7.7 3.4 1.223775
1250 20.9 2.2 7.8 3.339286 1.205757
1260 20.9 2.2 7.6 3.462963 1.242125
1270 20.9 2.2 7.7 3.4 1.223775
1290 20.9 2.2 7.6 3.462963 1.242125
1300 20.9 2.2 7.5 3.528302 1.260817
Sample Calculations
Dilution of 40% H202 in Solution to 25% H202 Solution
40% H2O2 solution = (40 g H2O2/100mL water) * (1 mol/34.0147g) = 0.011759 mol/mL
= 11. 759 mol/L
25% H2O2 solution = (25 g H2O2/100mL water) * (1 mol/34.0147g) = 0.007398 mol/mL
= 7.3498 mol/L
M1V1= M2V2
Volume of H2O2 needed in a 250ml Erlenmeyer flask= V1= M1V2/M1= ((7.3498 mol/L) *(0.250
L))/(11.759mol/L) = 0.156L = 156 mL
156 mL of H2O2 was added to a 250ml Erlenmeyer flask which was then filled up with distilled
water.
Calculation of Overall Heat Transfer Coefficient of 150ml Flask
Area of flask,A = (pi)*(D2
)/4 +(pi)*(D)*(H)
Slope of graph= 0.0022 s-1
U= slope*C*m/A = 59.24 W/m2
K
Design of CSTR
Volume of the liquid in the tank = 500 ml
Inlet concentration of H2O2 = 6.5 mol/L
Exit concentration of H2O2 = 4.0 mol/L
Inlet concentration of KI = 0.033 mol/L
Temperature of reaction = 35o
C
Area of heat transfer, A = 0.1 m2
16.

19. Overall heat transfer coefficient, U = 280 W/m2
.K
Reaction rate constant, k0 = 3.08 x 10^8 L/mol.s
Heat of reaction, ∆Ho
= -98000 J/mol
Activation Energy, Ea = 56000 J/mol
Assuming a volumetric flow rate in for each solutions to be 5 mL/s
Residence time = Volume of liquid in tank/ Total volumetric flow rate entering = (500 mL) / (10
mL/s) = 50 s
Flow rate of H2O2 in = ( 6.5 ml/L )/ ( 5mL/s) = 1.3 mol/s
Flow rate of KI in = ( 0.033mol/L)/ (5 mL/s) = 0.0066 mol/s
Cperoxide.out = Cperoxide.in*(1-X) 4.0 mol/L = 6.4 mol/L (1-X)
Solving for X gives a fractional conversion of 0.3846
Cwater.out = Cperoxide.in * X = 6.4 mol/L * 0.3846 = 2.4614 mol/L
CKI.in = CKI.out = 0.033 mol/L
Coxygen.out = 0 mol/L
Total concentration out = 4 mol/L + 2.3614 mol/L + 0.033mol/L = 6.4971 mol/L
Flow rate of solution out = 6.4971 mol/L * Total volumetric flow rate entering = 64.971 L/s
Rate = k0 exp ( -Ea/RT) [H2O2] [I-] = (3.03 * 10^8 L/mol.s) (exp ( -(5600J/mol)/ (8.314
J/K.mol)*(308.15K))) [6.5 mol/L]*[0.033mol/L] = 7.30 * 10^6 mol/L.s
Heat generated = - V∆Ho
* rate = -(0.500L)*(-9800J/mol)*(7.30 *10^6mol/L.s)= 3.578^10 J/s
Heat removed = U * A (Ti-T) = ( 280 W/m2. K)*(0.1m^2)*(298K-308.15K) = -284.2 J/s
Heat removed – Heat Generated = - 3.587*10^10 J/s
C*m* dT/dt = -3.587*10^10 J/s
dT/dt ~ -0.022 K/s
Mass flow rate of water in cooling jacket = (-3.587*10^10 J/s) / (C * dT/dt) = (-3.587*10^10 J/s)
/ (4185.5J/kg..K)(- 0.022 K/s) = 3.9*10^8 kg/s
17.

20. Discussion and Conclusion
The graphs of temperature versus time for the decomposition experiments show a parabola
shaped curve. This is because at the beginning of the experiment, temperature rises due to the
increasing amount of heat that is released from the exothermic reaction, but as the reaction
proceeds, reactant component is used up (not including the catalyst) causing the rate of the
reaction to decrease and less heat to be released.
In the 1000ml flask, higher temperatures were achieved. This is because stirring is more
ineffective in a larger size flask due to the lower size to volume ratio. In addition, not having
proper mixing causes the temperature to not be uniform in the flask and heat to not be evenly
distributed in the flask. Thus, the plots for the decomposition of the decomposition of the
peroxide solution show fluctuating values of temperature and a trendline that does not match the
actual graph very well. Experiments in which temperatures were recorded by a LabView
program and included a stirring rod in the experimental setup, resulted in a smooth parabolic
graph. The use of a stirring rod also caused temperature rise to be lower. Proper stirring aids heat
transfer.
Lastly, the heat transfer coefficient values calculated was lower for the 1000ml flask. This met
our expectation. Values of the heat transfer coefficient depends on the mixing, thickness of the
flask and the flask’s size to volume ratio. The 1000mL flask had more ineffective mixing of
contents, thicker walls, and lower size to volume ratio.
In conclusion, it is shown from our results that the chance of a thermal runaway from occurring
is larger in bigger sized flasks. This is further proven by the last graph that plots the temperature
profiles predicted for different sized flasks. The presence of an ice bath or a cooling jacket,
proper mixing, and careful monitoring of temperature of the solution can help prevent thermal
runaway from occurring.
In designing the CSTR, the CSTR needs to be open for oxygen to escape to the atmosphere to
prevent pressure build up, as shown below. The water flowing through the cooling jacket will be
at a temperature higher than the temperature of the ice bath used in the batch reactors. This is
done to speed up the reaction and to obtain a higher conversion factor of the peroxide solution.
18.

21. Plots and Tables
Peroxide Decomposition in 150mL Beaker
19.

22. Peroxide Decomposition in 1000mL Beaker
Peroxide Decomposition in 150mL beaker (using LabView)
20.

23. Peroxide Decomposition in 1000mL Beaker (using LabView)
Hot and Cold Water in 150mL Beaker
21.

24. Hot and Cold Water in 1000mL Beaker
Temperature Profiles Predicted for Different Sized Flasks (solved by MatLab)
22.

25. Table 1
Flask Size (mL) Heat Transfer Coefficient, U (W/m2.K)
150 59.24
1000 36.55
Reference
Clark, W., Lei, M., Kirichenko, E., Dickerson, K. and Prytko, R. (2018). [online] Journals.fcla.edu. Available
at: http://journals.fcla.edu/cee/article/viewFile/90552/86822
23.