Bomb Calorimetry Lab

Bryan Luu, PJ Schaefer, Jesse Gu

Eastern University
2/22/17
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Abstract: The objective here was to determine the enthalpy of formation both experimentally
and theoretically. To do this, a reaction was ignited in a bomb calorimeter in order to obtain
values which were used to calculate the Calorimeter constant, delta U, and heats of combustion.
Three reactions were run, each one using a different material: benzoic acid, naphthalene, and
valentine hearts. The calorimeter constant is 2510 cal; the enthalpy of combustion of naphthalene
is -5307 kJ/mol, which was used to find the enthalpy of formation, 228.7 kJ/mol. In relation to its
literature value of 78.53 kJ/mol there was a 191% error. A second method to observe the heat of
combustion was to use Gaussian values using the format of DFT/6-31 ++G. The comparison of
Gaussian to theoretical was 4.14% error, which compares closely the 2.97% error when using
calculated heat of combustion.

Data, Results, and Calculations

Table 1: Combustion Temperatures for Benzoic Acid, Naphthalene, and Valentine Heart Candies

Benzoic Acid Naphthalene Valentine Heart Candies

Time Temp ( Time Temp ( Time Temp
(sec) C) (sec) C) (min) ( C)
0 25.92 0 24.965 0 25.781
60 25.92 60 24.965 60 25.775
145 25.9 120 24.97 120 25.77
236 25.851 180 24.96 180 25.765
306 25.895 250 24.95 240 25.763
346 26.125 300 24.94 300 25.76
375 27.125 335 25.2 319.8 26
389 27.36 345 25.39 325.8 26.38
406 27.6 354 25.85 331.2 26.78
427 27.745 364 26.18 362.4 27.28
440 27.895 374 26.48 369 27.66
455 27.965 381 26.6 375 27.93
516 28.165 390 26.82 381 28.25
577 28.26 397 27.02 387.6 28.26
637 28.279 426 27.44 393.6 28.38
695 28.285 439 27.54 426 28.53
753 28.292 451 27.62 433.8 28.575
875 28.29 468 27.72 447 28.68
932 28.275 484 27.78 453.6 28.76
994 28.26 500 27.822 489 28.825
560 27.925 501 28.845
620 27.965 541.2 28.885
680 27.981 548.4 28.91
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740 27.975 561 28.925

800 27.97 574.8 28.945
860 27.968 610.2 28.95
623.4 28.96
672 28.965
726 28.967
747 28.96
807 28.955
867 28.95
927 28.94
987 28.93
1047 28.92
1107 28.91
1167 28.902

These are the temperatures recorded for each test run in the bomb calorimeter. The first was
benzoic acid and this was used to standardize the calorimeter used. After naphthalene was used
as a practice and comparison then followed our choice food which was valentine heart candies.

Table 2: Calculated Values

Data Values

Calorimeter Constant 2510 cal

Benzoic acid

Pellet mass 0.9351 g

Delta Hc (Literature Value) -3228 0.5 kJ/mol

Delta T 2.404 K

Naphthalene

Pellet mass 0.7824 g

Delta U 5311 kJ/mol

Delta Hc -5310 kJ/mol

Delta Hc, standard -5307 kJ/mol

Delta Hc, standard (Literature Value) -5154 5.1 kJ/mol

Delta Hf 228.7 kJ/mol

Delta Hf (Literature Value) 78.53 kJ/mol

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Burned Wire 4.9 cm

Delta T 3.070 K

Gaussian

CO2 -188.635

H2O -76.437

O2 -150.368

Naphthalene (s) Hf -385.849

Napthtalene Delta Hc, gaussian values -4949 kJ

Valentines Hearts

Pellet mass 2.024 g

Delta U 4.017 kcal/mol

Delta U (Literature Value) 6.493 kcal/mol

Burned Wire 7.2 cm

Delta T 3.249 K

Correction Values

Titration 7.3 mL

Protein amount %1.14

H1 0.3350 kJ

H3 -1.236 kJ/mol

(Napthtalene) Hsub 71.5 kJ/mol

(H O) Hvap
2 -44.0 kJ/mol

Above lists the values used in accordance with the formulas below to find internal energy, heat of
combustion, heat of formation, and a few others. The mass of each pellet, T, and burned wire is
used to find the calorimeter constant and q for each test. Titration and the two H corrections are
used to account for our non-ideal gasses. The Gaussian values found using the program were
used to calculate the cH and then compared to the literature value.
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Table 3: Formulas used for above Calculations

The formulas above are what were used with the values in the previous table to calculate
expected values.

Table 4: Delta T calculations

Benzoic Naphthal Candy

Acid ene Hearts
Ta ( C) 25.895 24.94 25.76
Tc ( C) 28.285 27.981 28.967
A (sec) 320 310 300
B (sec) 389 532 555.6
C (sec) 695 680 726
R1 -0.00029 -0.000083 -0.000072
R2 -0.000084 -0.000072 -0.00015

This table shows how T is calculated and which numbers went into the equation to result in the
answer.
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Graph 1: Benzoic Acid

Benzoic Acid Combustion

28.5
28
27.5
27

) 26.5
Temp ( C
26
25.5
25
24.5
0 200 400 600 800 1000 1200

Time (sec)

Above represents the combustion curve of benzoic acid, ignition occurred at 320 seconds. Six
minutes after combustion the temperature started to equilibrate.

Graph 2: Naphthalene

Naphthalene Combustion
29

28

27

) 26
Temp ( C
25

24

23
0 100 200 300 400 500 600 700 800 900 1000

Time (sec)

Above represents the combustion curve of Naphthalene, ignition occurred at 310 seconds. Six
minutes after combustion the temperature started to equilibrate.
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Graph 3: Valentine Candy Hearts

Combustion of Valentines Candy Hearts

30

29

28

Temp ( C) 27

26

25

24
0 5 10 15 20 25

Time (sec)

Above represents the combustion curve of valentine candy hearts, ignition occurred at 300
seconds. Five and a half minutes after combustion the temperature started to equilibrate.

Analysis and Claims:

Comparison of the experimental cH and the theoretical cH of naphthalene produced a

2.97%. This is not a huge deviation and can be contributed to the purity only being 99.6%
pure.
Experimental limitation was found when recording the quickly changing temperature
with so many digits.
Comparing the experimentally found fH and the theoretical fH value produced a
191% error. This increased error is known as propagation of error which is when the
uncertainties of an earlier step compounds upon itself as steps continue.
General temperature trend: Before ignition, temperature decreases, and after the max
temperature is observed the temperature decreases again.
When the cH was calculated using Gaussian then compared to our literature value the
percent error was 4.14%.
Hearts are not uniformly made (varying dyes & flavoring), so taking sample from a full
box instead of a few individual hearts would produce a more reliable comparison.
Repeating the trial more than would produce multiple results which would give
credibility to the experiment.
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Protein residual was calculated to be 1.14% protein contained within our pellet of candy
hearts. The nutrition label indicated there should be no presence of protein. Given the low
value, the presence of protein is most likely caused by an external factor such as previous
combustion residues or nitrogen in the air.
Internal energy for the candy hearts was calculated experimentally and compared to the
literature value for the candy hearts, the percent error produced was 61.6%.
Sources or error include water loss, inadequate cleaning of the bomb, and repeated use of
calorimeter.
Water loss would mean less water needed to be heated to have an increase in temperature
which would ultimately result in a larger than expected heat of combustion. This means
that our heat of formation would have to be higher to account for this fact.
Inadequate cleaning could leave residual water or ash in the container. Finally, this bomb
is used repeatedly every year would produce wear on the calorimeter causing not as
reliable results.

Conclusion: It was concluded that the calculated values of Hc of both naphthalene and
valentines hearts were within acceptable limits of their respective literature values. However,
using these values to calculate an acceptable Hf was unsuccessful. In order to accurately
calculate values of Hf, more precise instruments and experimental techniques must be used.
During the experiment, it also became clear that there were various methods that could be used
to calculate Hc. In this case, the use of Hesss law from experimental data provided a more
close Hc to the literature values than the theoretical DFT model used on Gaussian.

Acknowledgements:

Eastern University provision of materials and lab equipment

Dr. Bundens supervision and guidance

Reviewers Lilith and Kayli