Computer Application in ChE
Computer Application in ChE
Computer Application in ChE
Software
Abstract
The specific heats of gases are generally expressed as molar specific heats.
For a monatomic ideal gas the internal energy is all in the form of kinetic
energy, and kinetic theory provides the expression for that energy, related
to the kinetic temperature. It can be affected by different state variables
under study. This paper presented a modeling process using the Excel
Software to determine the relationship of heat capacity and temperature
and the best fit model equation for the given data of ionic liquid
C7H13BrN2, at constant pressure. The relationships were tested in nine
different degrees to determine the appropriate model equation. It was
observed that the heat capacity of the compound increases slowly as the
temperature increases. The values of R2 are 0.383, 0.417, 0.532, 0.613,
0.686, 0.748, 0.601, 0.282, and 0.905, respectively. The lowest value of R 2
is obtained from the plot of logarithmic while the highest is from the
power function.
Introduction
The specific heat capacity refers to the
amount of heat required to cause a unit of
mass (say a gram or a kilogram) to change
its temperature by 1C.Specific heat
capacities provide a means of
mathematically relating the amount of
thermal energy gained (or lost) by a sample
of any substance to the sample's mass and its
resulting temperature change. The effect of
temperature on reaction enthalpies and
equilibrium constants is also evaluated using
heat capacities of the participants.
RESULTS
T,K
Cp, J/mol-K
T,K
Cp, J/mol-K
T,K
Cp, J/mol-K
5.52
5.87
6.21
6.59
6.97
7.35
7.73
8.12
8.51
8.89
9.28
9.68
10.07
10.57
11.17
11.78
12.39
13
13.62
14.24
14.85
0.401
0.492
0.596
0.729
0.883
1.057
1.253
1.472
1.709
1.969
2.25
2.56
2.896
3.349
3.934
4.563
5.251
5.972
6.746
7.548
8.382
23.77
25.2
26.63
28.07
29.52
31.17
33.03
34.89
36.76
38.63
40.49
42.5
44.67
46.85
49.03
51.21
53.39
55.57
57.75
59.93
62.13
22.77
25.25
27.75
30.25
32.71
35.56
38.66
41.68
44.57
47.38
50.15
53
55.99
58.9
61.73
64.4
66.92
69.38
71.78
74.14
76.42
78.68
80.13
80.36
80.94
82.27
82.46
82.87
84.2
84.8
84.8
86.13
86.73
88.8
88.67
90.04
90.6
92.01
92.54
93.99
94.48
95.98
91.25
92.58
92.62
93.01
94.04
94.26
94.47
95.47
95.84
95.9
96.85
97.28
98.24
98.67
99.66
100
101.1
101.4
102.5
102.8
103.8
15.58
16.42
17.26
18.09
18.93
19.77
20.91
22.33
9.404
10.63
11.9
13.21
14.56
15.94
17.83
20.27
64.33
66.53
68.72
70.92
73.18
75.5
77.81
78.3
78.63
80.71
82.68
84.56
86.57
88.58
90.59
90.96
96.43
97.97
98.38
99.98
100.34
101.99
102.29
104.01
104.1
105.1
105.4
106.5
106.7
107.7
107.9
109
T,K
Cp, J/mol-K
T,K
Cp, J/mol-K
T,K
Cp, J/mol-K
104.25
106.04
106.21
108.08
108.17
110.12
110.14
112.1
109.1
110.2
110.3
111.5
111.6
112.7
112.7
113.9
133.84
134.99
135.84
137.08
137.83
139.18
139.83
141.28
126
126.6
127
127.7
128
128.7
129.1
129.8
163.88
164.5
165.89
166.61
167.9
168.73
169.91
170.84
141.3
141.6
142.3
142.6
143.3
143.7
144.4
144.8
112.17
114.07
114.22
116.04
116.28
118.01
118.34
119.98
120.41
121.96
122.48
123.94
124.56
125.91
126.63
127.9
128.72
129.88
130.8
131.86
132.89
113.9
115
115.1
116.2
116.3
117.3
117.5
118.4
118.7
119.4
119.8
120.6
121
121.7
122.1
122.8
123.2
123.8
124.4
124.9
125.5
141.83
143.39
143.83
145.49
145.83
147.6
147.83
149.71
149.83
151.82
151.83
153.84
153.93
155.85
156.04
157.86
158.16
159.86
160.27
161.87
162.38
130.1
130.9
131.1
132
132.1
133
133.2
134.1
134.2
135.2
135.2
136.2
136.3
137.2
137.3
138.3
138.4
139.3
139.5
140.2
140.6
171.92
172.95
173.94
175.06
175.95
177.17
177.96
179.28
179.98
181.39
182
183.49
184.02
185.6
186.04
187.7
188.06
189.8
190.08
191.09
192.1
145.4
146.1
146.6
147.4
147.9
148.7
149.1
149.8
150.2
150.9
151.2
152
152.2
153
153.2
154.1
154.3
155.2
155.3
156.2
156.3
T,K
Cp, J/mol-K
T,K
Cp, J/mol-K
T,K
Cp, J/mol-K
194
194.12
196.1
196.15
198.17
198.2
200.1
200.29
202.22
202.39
204.25
204.48
206.28
206.57
208.31
208.66
210.35
210.75
212.38
212.84
214.41
214.92
216.44
217
218.48
219.08
220.51
221.15
222.55
157.3
157.4
158.4
158.4
159.4
159.4
160.5
160.5
161.6
161.7
162.6
162.8
163.8
163.9
164.9
165.1
166
166.3
167.3
167.5
168.5
168.8
169.7
170.1
170.9
171.3
172.1
172.5
173.3
223.22
224.59
225.29
226.63
227.36
228.67
229.42
230.71
231.48
233.47
233.54
235.59
235.81
237.64
237.86
239.69
239.9
241.74
241.94
243.78
243.99
245.82
246.03
247.86
248.07
249.89
250.11
251.92
252.16
173.7
174.5
175
175.8
176.2
177
177.5
178.2
178.7
180
180
181.3
181.5
182.5
182.7
183.9
184.1
185.1
185.3
186.4
186.6
187.8
187.9
189.1
189.3
190.6
190.7
192
192.2
253.95
254.2
255.97
256.25
257.98
258.29
260
260.33
262
262.37
264.01
264.42
266.06
266.47
268.16
268.52
270.26
270.57
272.36
272.62
274.45
274.67
276.54
276.71
278.62
278.75
280.68
280.79
282.74
193.4
193.6
194.9
195.1
196.4
196.7
198
198.3
199.6
199.9
201.2
201.7
203.2
203.4
205.1
205.3
207.1
207.1
209.2
209.4
211.5
211.5
213.9
213.9
216.6
216.6
219.5
219.5
222.7
T,K
Cp, J/mol-K
T,K
Cp, J/mol-K
T,K
Cp, J/mol-K
282.84
284.78
284.88
286.82
288.82
290.81
222.7
226.4
226.6
230.9
236.3
242.8
292.77
294.69
296.57
298.39
300.12
301.74
251.5
262.7
278.5
300.9
334.9
387.4
303.2
304.47
305.51
306.32
306.93
470.7
613.7
844.2
1193
1697
A. Linear
800
600
400
200
0
0
50
350
Temperature, K
B. Quadratic
800
600
400
200
0
0
100
150
200
Temperature, K
250
300
350
C. Cubic
800
600
400
200
0
0
50
100
150
200
Temperature, K
250
300
350
800
600
400
200
0
0
50
100
150
200
250
300
350
Temperature, K
800
f(x) = 0x^5 - 0x^4 + 0x^3 - 0.24x^2 + 11.05x - 99.26
600
R = 0.69
400
200
0
0
50
100
150
200
Temperature, K
250
300
350
50
100
150
200
Temperature, K
G. Exponential
250
300
350
800
600
400
200
0
0
50
100
150
200
250
300
Temperature, K
H. Logarithmic
I. Power function
300
350
350
800
600
400
200
0
0
100
150
200
250
300
350
Temperature, K
DISCUSSION
compound
increases
gradually
as
the
polynomial
exponential,
of
logarithmic,
6th
degree,
and
power
CONCLUSION
temperature
constant
pressure of1,2-Dimethyl-3-ethylimidazolium
heat
capacity
at