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ABSTRACT
Computer simulation in the classroom allows students to
make judgments and decisions based on logic, observations
and their knowledge of the real word. As part of an
undergraduate course in chemical reactors design at the
Chemical Engineering School (ESIQIE) of the National
Polytechnic Institute at Mexico City, we give the students a
problem assignment to simulate the process of
hydrogenation of fatty oils, using data from a real plant. In
order to help students understand more easily the concepts
being taught, mainly the practical value of simulation as a
chemical engineering tool, we choose a realistic example.
This paper outlines the use of the simulated process in the
teaching of modeling and simulation.
KEY WORDS
Simulation, modeling, teaching, chemical reactors
1. Introduction
567-062
187
Estearic
Peanut
Soybean
V Cp
Sunflower
2.24
3.2
3.87
4.11
Oleic
18.1
50.3
22.80
20.70
Linoleic
58.3
30.6
50.80
63.50
Linolenic
0.4
6.76
0.30
dTb
= WCp (Ti Tb ) + A1U 1 (Tm Tb )
dt
(1)
Where
W = the flow rate of oil,
Cp = average heat capacity of oil,
= density of oil,
A1 = heat exchange area of the preheater,
V = reactor volume,
U1 = heat transfer coefficient of the preheater,
Tb = oil temperature leaving the preheater
Ti = oil temperature entering the preheater
Tm = steam temperature.
t = time
k1
k2
k3
linolenic acid
linoleic acid
oleic acid
stearic acid
dT
= 0.507 (77.0 Tb ) + 1.11(356.0 Tb )
dt
(2)
188
I Iodide =
dC A = k1C A
dt
dC B =
k1C A - k 2 C B
rB =
dt
dC C =
k 2 C B - k 3 CC
rC =
dt
rD =
dC D =
k 3 CC
dt
(4)
Acid chain
Molecular
weight
Mole
percentage
No. of moles in
14,000 kg
Palmitic
254.5
11.0
5.951
Estearic
284.5
2.017
Oleic
284.4
23.5
11.898
Linoleic
280.4
53.5
26.961
Linolenic
278.4
7.0
3.52
(5)
Where
(7)
V = Volume of reactor,
-Hr = heat of reaction,
Iiodide = iodide index reduced per minute
= mixture density,
Cp = average soybean oil heat capacity.
k 2 = 2 [exp( E 2 / T )]C 2
k3 = 3 [exp( E3 / T )]C3
Where
(12)
(6)
Where
k1 = 1 [exp( E1 / T )]C1
(11)
rA=
b3Cp
(8)
(9)
dTb 3
= U 3 A3 Tlm
dt
(13)
(10)
T = reaction temperature
i = pre-exponential factor
Ei = activation energy
(14)
189
400
350
300
T(F)
250
200
150
100
50
(b
(a)
0
0
25
50
75
(c)
100
125
(d
150
175
Time
Acknowledgement
The author is grateful for the financial support from the
Instituto Politcnico Nacional of Mexico.
References
[1] Erickson, D.R. y Everett H. Pryde. Manual de
procesamiento y utilizacin del aceite de soya. American
Soybean Association and American oil chemist society.
1980.
[2] Brown, T.R. Heating and cooling in batch processes.
Chem. Eng., May 28, 1973.
[3] Chen, A.H., D.D. McIntire y R.R. Allen. Modeling of
reaction rate constants and selectivity in soybean oil
hydrogenation. Journal of Amer. Oil Chem. Soc., August
1981.
60
50
Mole %
40
linolenic
30
linoleic
20
oleic
10
stearic
0
0
20
40
60
Tim e (m in)
3. Conclusion
A mathematically reactor model has been developed to
numerically simulate the dynamic behavior of a
hydrogenation reactor of fatty acids, for the purpose of
teaching the process of modeling and simulation to chemical
engineering students. Calibration and validation of the
model were conducted using data from a real plant. We
setup two educational objectives. The first one is related to
the knowledge that should be attained by the end of the
simulation project, namely the basic concepts to understand
190