Anilina 3ra RXN Definitivo

UNIVERSIDAD DE ANTIOQUIA
Facultad de Ingeniería Fecha:

Departamento de Ingeniería Química 22/08/2018 Página 1 de 38
Third Ingeniería de las Reacciones Químicas Homework
THIRD INGENIERÍA DE LAS REACCIONES QUÍMICAS HOMEWORK
Jairo Arango Urueña1, Juan Camilo Tirado Varela1, Luis Esteban Vásquez Castañeda1.
1
Estudiantes de ingeniería química, Facultad de Ingeniería Universidad de Antiquia, Medellín,
Colombia, 22nd august 2018.
1. The irreversible, liquid-phase elementary reaction showed in the Eq. 1 with 𝑘 =1 min−1:
𝐴→𝐵 Eq. 1
Is to be carried out isothermally in a combination of reactors, Figure 1.
Figure 1. Diagram of reaction process.
Determine the value of parameters (𝛿,𝜆 𝑎𝑛𝑑 𝛼) that maximizes the conversion of stream 7 and
determine the conversion of the last reactor (XA8). It is known that 𝛿=𝛼3 and 𝜆=𝛼2.
Assumptions:
1. Irreversible reaction.
2. Reaction in liquid phase.
3. Reaction of elementary order.
4. Isothermal process.
Initial data:
Initial flow of A:
Initial concentration of A:
Volumes of the reactors:
Reaction:
𝐴 𝐵
𝑘 𝑛
α, δ and λ relations:
𝛿
𝜆
Rate Law:
By the assumptionsit is had that the reaction is of elementary order, therefore:
𝑘𝐶 Eq. 01
Expressing the reaction speed in terms of the conversion:
𝐶 𝐶 Eq. 02
Replacing in the Eq. 1:
𝑘𝐶 Eq. 03
Mass balance:
Global:
Eq. 04
The conversion will then be:
Eq. 05
Mass balance in Mixer 1:
Eq. 06
𝛼 Eq. 07
Eq. 08
𝛼 Eq. 09
Eq. 10
Eq. 11
Mass balance for each reactor:

Reactor 1:
𝛿𝛼 Eq. 12
Reactor 2:
𝛿 𝛼 Eq. 13
Reactor 3:
𝜆 𝛼 Eq. 14
Reactor 4:
𝜆 𝛼 Eq. 15
From the previous balances, we then have to:

Replacing Eq. 07, (13) and Eq. 14 in Eq. 06:
𝛿𝛼 𝛿 𝛼 𝛼 Eq. 16
Replacing Eq. 09, Eq. 15 and Eq. 16 in Eq. 08:
𝜆 𝛼 𝜆 𝛼 𝛼 Eq. 17
Replacing Eq. 07, Eq. 09 and Eq. 11 in Eq. 10:
𝛼 𝛼 Eq. 18
Design equations for each reactor

R1: reactor CSTR
Eq. 19
from Eq. 03 it has to:
𝑘𝐶 𝑘𝐶 Eq. 20
Replacing Eq. 20 in Eq. 19:
Eq. 21
R2: reactor PFR
Eq. 22
from Eq. 03 it has to:
Replacing Eq. 23) into Eq. 22:
Eq. 24
Integrating Eq. 24:

Eq. 25
R3: reactor CSTR
Eq. 26
From Eq. 03 it has to:
Replacing Eq. 27 into Eq. 26:
Eq. 28
R4: reactor PFR
Eq. 29
From Eq. 03 it has to:
𝑘𝐶 𝑘𝐶
Replacing -rA4
Eq. 30
Integrating Eq. 30:
Eq. 31
R5: reactor CSTR
Eq. 32
Clearing the conversion terms in the Eq. 21, Eq. 25, Eq. 38 and Eq. 31, it has to:
Eq. 34
Eq. 35
( )
Eq. 36
Eq. 37
( )
From the Eq. 16, Eq. 17 and Eq. 18 by clearing the conversion terms:
𝛿 𝜆 Eq. 38
𝜆 𝜆 Eq. 39
𝛼 𝛼 Eq. 40
Now, it has a system of equations of conversions in terms of α, λ and δ. Since α, λ and δ are
related to each other, the system can be evaluated at different values of α to determine the
maximum conversion in current 7.
Table 1. Variables data.

α δ λ X1 X2 X3 X4 X5 X6 X7
0 0,00 0,00 1,00 #¡DIV/0! 1,00 0,57 #¡DIV/0! 0,57 #¡DIV/0!
0,01 0,00 0,01 1,00 1,00 0,99 0,57 1,00 0,57 0,58
0,02 0,01 0,01 1,00 1,00 0,98 0,58 1,00 0,58 0,59
0,03 0,01 0,02 1,00 1,00 0,97 0,58 1,00 0,59 0,60
0,04 0,01 0,02 1,00 1,00 0,96 0,59 1,00 0,60 0,61
0,05 0,02 0,03 1,00 1,00 0,95 0,59 1,00 0,60 0,62
0,06 0,02 0,03 1,00 1,00 0,95 0,60 1,00 0,61 0,63
0,07 0,02 0,04 1,00 1,00 0,94 0,60 1,00 0,62 0,64
0,08 0,03 0,04 1,00 1,00 0,93 0,61 1,00 0,62 0,65
0,09 0,03 0,05 1,00 1,00 0,92 0,62 1,00 0,63 0,66
0,1 0,03 0,05 1,00 1,00 0,92 0,62 1,00 0,64 0,67
0,11 0,04 0,06 1,00 1,00 0,91 0,63 1,00 0,64 0,68
0,12 0,04 0,06 1,00 1,00 0,90 0,63 1,00 0,65 0,69
0,13 0,04 0,07 1,00 1,00 0,90 0,64 1,00 0,66 0,70
0,14 0,05 0,07 0,99 1,00 0,89 0,65 1,00 0,66 0,71
0,15 0,05 0,08 0,99 0,99 0,89 0,65 0,99 0,67 0,72
0,16 0,05 0,08 0,99 0,99 0,88 0,66 0,99 0,68 0,73
0,17 0,06 0,09 0,99 0,99 0,88 0,67 0,99 0,68 0,74
0,18 0,06 0,09 0,99 0,99 0,87 0,67 0,99 0,69 0,74
0,19 0,06 0,10 0,99 0,99 0,87 0,68 0,99 0,70 0,75
0,2 0,07 0,10 0,99 0,98 0,86 0,69 0,98 0,70 0,76
0,21 0,07 0,11 0,99 0,98 0,86 0,69 0,98 0,71 0,77
0,22 0,07 0,11 0,99 0,97 0,85 0,70 0,98 0,72 0,77
0,23 0,08 0,12 0,99 0,97 0,85 0,71 0,97 0,72 0,78
0,24 0,08 0,12 0,98 0,97 0,85 0,71 0,97 0,73 0,79
0,25 0,08 0,13 0,98 0,96 0,84 0,72 0,97 0,73 0,79
0,26 0,09 0,13 0,98 0,96 0,84 0,73 0,96 0,74 0,80
0,27 0,09 0,14 0,98 0,95 0,84 0,73 0,96 0,75 0,80
0,28 0,09 0,14 0,98 0,95 0,83 0,74 0,95 0,75 0,81
0,29 0,10 0,15 0,98 0,94 0,83 0,75 0,95 0,76 0,81
0,3 0,10 0,15 0,97 0,94 0,83 0,75 0,94 0,76 0,82
0,31 0,10 0,16 0,97 0,93 0,82 0,76 0,94 0,77 0,82
0,32 0,11 0,16 0,97 0,93 0,82 0,77 0,94 0,78 0,83
0,33 0,11 0,17 0,97 0,92 0,82 0,77 0,93 0,78 0,83
0,34 0,11 0,17 0,97 0,92 0,82 0,78 0,93 0,79 0,84
0,35 0,12 0,18 0,97 0,91 0,81 0,79 0,92 0,79 0,84
0,36 0,12 0,18 0,96 0,91 0,81 0,80 0,92 0,80 0,84
0,37 0,12 0,19 0,96 0,90 0,81 0,80 0,91 0,80 0,85
0,38 0,13 0,19 0,96 0,90 0,81 0,81 0,91 0,81 0,85
0,39 0,13 0,20 0,96 0,89 0,81 0,82 0,91 0,82 0,85
0,4 0,13 0,20 0,96 0,89 0,81 0,82 0,90 0,82 0,85
0,41 0,14 0,21 0,95 0,88 0,81 0,83 0,90 0,83 0,86
0,42 0,14 0,21 0,95 0,87 0,80 0,84 0,89 0,83 0,86
0,43 0,14 0,22 0,95 0,87 0,80 0,84 0,89 0,84 0,86
0,44 0,15 0,22 0,95 0,86 0,80 0,85 0,89 0,84 0,86
0,45 0,15 0,23 0,95 0,86 0,80 0,86 0,88 0,85 0,86
0,46 0,15 0,23 0,94 0,85 0,80 0,87 0,88 0,85 0,86
0,47 0,16 0,24 0,94 0,85 0,80 0,87 0,88 0,86 0,86
0,48 0,16 0,24 0,94 0,84 0,80 0,88 0,87 0,86 0,87
0,49 0,16 0,25 0,94 0,84 0,80 0,89 0,87 0,86 0,87
0,5 0,17 0,25 0,93 0,83 0,80 0,89 0,86 0,87 0,87
0,51 0,17 0,26 0,93 0,83 0,80 0,90 0,86 0,87 0,87
0,52 0,17 0,26 0,93 0,83 0,80 0,90 0,86 0,88 0,87
0,53 0,18 0,27 0,93 0,82 0,80 0,91 0,86 0,88 0,87
0,54 0,18 0,27 0,92 0,82 0,80 0,92 0,85 0,89 0,87
0,55 0,18 0,28 0,92 0,81 0,80 0,92 0,85 0,89 0,87
0,56 0,19 0,28 0,92 0,81 0,80 0,93 0,85 0,89 0,87
0,57 0,19 0,29 0,92 0,80 0,80 0,93 0,84 0,90 0,87
0,58 0,19 0,29 0,91 0,80 0,80 0,94 0,84 0,90 0,87
0,59 0,20 0,30 0,91 0,79 0,81 0,94 0,84 0,90 0,86
0,6 0,20 0,30 0,91 0,79 0,81 0,95 0,83 0,91 0,86
0,61 0,20 0,31 0,90 0,79 0,81 0,95 0,83 0,91 0,86
0,62 0,21 0,31 0,90 0,78 0,81 0,96 0,83 0,91 0,86
0,63 0,21 0,32 0,90 0,78 0,81 0,96 0,83 0,91 0,86
0,64 0,21 0,32 0,90 0,77 0,81 0,97 0,82 0,92 0,86
0,65 0,22 0,33 0,89 0,77 0,81 0,97 0,82 0,92 0,86
0,66 0,22 0,33 0,89 0,77 0,82 0,97 0,82 0,92 0,85
0,67 0,22 0,34 0,89 0,76 0,82 0,98 0,82 0,92 0,85
0,68 0,23 0,34 0,88 0,76 0,82 0,98 0,82 0,93 0,85
0,69 0,23 0,35 0,88 0,76 0,82 0,98 0,81 0,93 0,85
0,7 0,23 0,35 0,88 0,75 0,83 0,99 0,81 0,93 0,85
0,71 0,24 0,36 0,87 0,75 0,83 0,99 0,81 0,93 0,84
With the above, it is observed that the highest conversion of X7 is achieved with an alpha of
0.58. So:
Eq. 41
The result obtained is:
FA7 = 8,089 mol/min
X8 = 0,941
Figure 2. Problem’s Solution at Excel
2. Alkylated cyclohexanols as 2-methylcyclohexanone are important intermediates in the

fragrance and perfume industry. A reported work [Ind. Eng. Chem. Re., 28, 693 (1989)] was
focused on gas-phase catalyzed hydrogenation of o-cresol to 2-methylcyclohexanone, Eq. 42,
which is can be then hydrogenated to 2-methylcyclohexanol. The reaction represented with Eq.
42 on a nickel-silica catalyst was found to be zero-order in ocresol and first order in hydrogen
with a specific reaction rate at 170°C of 1.74 mol o-cresol/ (kgcat.min.atm). The reaction mixture
enters the packed-bed reactor at a total pressure of 5 atm. The molar feed consists of 67% H and
33% o-cresol at a total molar flow rate of 40 mol/min.
Eq. 42
a Neglecting pressure drop, plot the rate of reaction of o-cresol and the concentrations of each
species as a function of catalyst weight. What is the ratio of catalyst weight needed to achieve
95% of conversion to the weight necessary to achieve the 5% of conversion in the PFR.
𝐴 𝐵 𝐶 Eq. 43
The expression of conversion in terms of the weight of the catalyst is obtained from the following
equation:
Eq. 44
Where the global reaction speed is expressed as follows:
Eq. 45
The rate of disappearance with respect to the reactive limit (o-cresol).
Eq. 46
Where the stoichiometric coefficient of reagent A is -1.
Eq. 47
By ideal gas the following expression is obtained for the pressure of B.
Eq. 48
𝐶 Eq. 49
𝐶 Eq. 50
The reaction occurs in the gas phase, we have V ≠ V_0 which is expressed below:
( )( ) Eq. 51
Eq. 52
𝐶 Eq. 53
𝐶 𝐶 ( ) Eq. 54
Eq. 55
𝐶 Eq. 56
𝐶 Eq. 57
The calculations were obtained from the MATLAB software in the following way:
Figure 4. Approach algorithm in Matlab software.

The results obtained from the algorithm are the following:
𝐶𝑎
𝑎 𝑛 𝑎𝑎 𝑎𝑑
𝐶𝑎
Figure 5. Ratio of catalyst weight to reaction rate.

Figure 6. Ratio of catalyst weight to concentration
Analysis: the results obtained in Figure 1. show that the higher catalyst weight, the reaction rate
decreases, this is due to the fact that the more mass of catalyst, the greater conversion is obtained
and this decreases because the reactants are consumed faster In the process, on the other hand,
Figure 2. shows the behavior of the reactants and products as the mass increases, in this case the
reagents decrease while the product is being formed, showing a direct relationship between the
catalyst mass and the conversion in the reaction .
b Accounting for pressure drop in the packed bed using a value = 0.027 kg.cat-1, redo part (a)
along with a plot of pressure versus catalyst weight.
The expression of the conversion change with respect to the catalyst ride depends on the pressure
drop, thus the Eq. 55 is expressed as follows.
( ) Eq. 58
From the Ergun equation, the necessary expression is obtained to determine the pressure drop
from the weight of the catalyst.
( )[ ]( )( ) Eq. 59
( )[ ] Eq. 60
( )( ) Eq. 61
Where to be an isothermal system the term temperature is 1. The pressure drop factor α is given
by the following expression.
Eq. 62
Finally, to the following expression of pressure in terms of the weight of the catalyst from the
previous equations:
( ) Eq. 63
From the Eq. 63 and Eq. 58, it determines the pressure drop and the conversion to different
catalyst weights, this system of equations was solved from the MATLAB software in the
following way:
The results of the algorithm are the following:
𝑎 𝑛 𝑎𝑎 𝑎𝑑 Eq. 64
Figure 8. Ratio of catalyst weight to pressure.
Figure 9. Ratio of catalyst weight to concentration.

Analysis: for this case, the pressure drop was taken into account, which when comparing the
mass ratio of the numeral a with the b (Eq. 41 and Eq. 64) shows that with pressure drop, more
catalyst mass is necessary to obtain the same conversion, on the other hand the rate of reaction
rate is much higher in the numeral a because it has no pressure and overlaying graphs results in
higher results with less catalyst; Figure 8. shows that as the catalyst mass increases, the
conversion and also the pressure drop in the reactor increases.
c. Another engineer suggests that changing catalyst size would be better to the reaction and
recommend that the particle diameter must be the half, the engineer suggest that with a quantity
of 6 kg of catalyst the reaction must achieve a better conversion of the initial conditions
(Consider that the flow is laminar). From the point of view of an engineerhat can you say about
it?
𝐷 Eq. 65
From the Eq. 62 the following expression is obtained for the pressure drop factor in terms of the
Ergun equation.
* + Eq. 66
When laminar flow is the term, turbulent flow (1.75G) is equal to zero and when relating the new
fall factor with the previous one, we have:
( )( )( )( )( ) Eq. 67
( )( )( )( )( ) Eq. 68
Eq. 69
The algorithm used to solve the equations is the following:


Figure 13. Ratio of catalyst weight to conversion.
Figure 14. Ratio of catalyst weight to pressure.

Figure 15. Ratio of catalyst weight to concentration.

Analysis: when increasing the mass of the catalyst and decreasing the particle size, there is a
greater pressure drop with respect to the previous number, on the other hand, at 6 Kg, when using
6 Kg of catalyst, catalytic material is being neglected since as shown in Figure 13. When we
reach 5.21 kg of catalyst, the conversion is 1 and this remains constant as it adds more mass in
addition to presenting greater pressure drops unnecessarily, the recommendations for this case is
to increase the diameter of the particle and decrease the catalyst mass, to obtain better conversion
results and pressure drop.
d. What is the highest conversion at the same reaction conditions (consider that the Flow is
turbulent) that can be achieved varying the particle diameter?
From the equation Eq. 66 for turbulent flow we have:
Eq. 70
Finally, the diameter ratio is determined as follows:
( ) Eq. 71
For this, different diameter relationships are used where = 0.027
To solve this equation in Matlab, different ratios were used to obtain alphas and conversions at a
fixed catalyst weight of 5 kg.Para esto se utiliza diferentes relaciones de diámetro donde =
0.027.
Figure 17. Approach algorithm in Matlab software
The results are shown below:
Figure 18. Ratio of conversion to alpha 2.

Figure 19. Ratio of pressure to alpha 2.
Analysis: in this numeral different ratios of catalyst diameter were evaluated where a range of
pressure drop factor (Alpha) is obtained, where the results show in Figure 18. Increasing the
Alpha decreases the diameter of the particle and in turn the conversion increases because it has a
greater contact area, however in Figure 19. decreasing the particle diameter shows greater
pressure drops.
3. Consider the conversion of A into B in aqueous solution represented with Equation:
←
𝐴 𝐵
At 30 °C this reaction is first-order in A in the forward direction with k1 = 0.273 s−1. In the
reverse direction, the reaction is pseudo-first-order in the B with k2 = 0.017 s−1. This reaction is
being studied on a pilot-plant scale in a membrane reactor (volume = 0.5 m3, with a feed stream
of 5 mol A/s and 0.25 M in A). Three alternative membrane types are to be considered for use in
a pilot-plant study, the membranes are permeable to water, but they are impermeable to all other
species. Table 1 shows the rate of diffusion of water through the membranes.
Table 2. Rate of diffusion of water through the membranes (Rwater) at 30°C.

Membrane 1 Membrane 2 Membrane 3
3 10−3(𝑀)0.5 −1𝐶𝑤𝑎 0.5 1.2 −1𝐶𝑤𝑎 5 10−1(𝑀)−0.5 −1𝐶𝑤𝑎 1.5
Assumptions:
1. Constant pressure and temperature

2. Reversible reaction
3. First order reaction
4. Reaction in aqueous phase
5. Constant volume membrane reactor
6. Water only participates in the transfer of mass in the reaction
The variation of the flow for each component of the reaction is described below:
A:
Eq. 71
B:
Eq. 72
For the water
Eq. 73
The speed of disappearance of A, by the law of speed for reversible reactions is:
𝑘 𝐶 𝑘 𝐶 Eq. 74
By the assumption for the water:
𝐶 Eq. 75
Since A is the limit reagent, it is known that:
Eq. 76
Eq. 77
For flow reactors when only have one reaction
𝐶 Eq. 78
Where the volumetric flow
Eq. 79
With the previous equations:
𝐶 𝐶 Eq. 80
As the pressure and temperature are constant:
𝐶 𝐶 Eq. 81
𝐶 𝐶 Eq. 82
𝐶 𝐶 Eq. 83
Replacing:
𝑘 𝐶 Eq. 84
Eq. 85
𝐶 ( 𝑘 𝑘 ) Eq. 86
Eq. 87
Using MatLab the equations were solved, resulting in the following graphs:
Membrane 1:
Figure 20. Molar Flow – Reactor Volume. Membrane 1
Figure 21. Concentration – Reactor Volume. Membrane 1

Figure 22. Conversion – Reactor Volume. Membrane 1
Membrane 2:


Membrane 3:

Graphs Analysis: membrane 1 allows a substantially greater water passage than the other
membranes, as evidenced by the concentration curve and molar flow, which could trigger
difficulties in recovering the product of interest since it would involve an additional operation to
achieve separation of water, which increases costs and operating time. Another aspect to
highlight of the membrane 1 is that the maximum conversion is achieved by reaching the final
volume of the reactor which means that under the use of this membrane requires a considerable
volume.
Membranes 2 and 3 show similar behavior in terms of molar fluxes, concentration and
conversion, membrane 2 being notably more suitable for use since, in comparison, it allows a
lower water flow in the system making the final concentration very low and get a maximum
conversion in a smaller volume. Therefore, for the purpose of use in this type of process, the use
of membrane 2 is viable.
Solution Algorithm:



4. Describe a process where the reactive distillation is used; justify the thermodynamic, economic
or environmental advantages. The reactions and the references where the information was found
should be included.
Figure 32. Title and abstract Comparison of intensified reactive distillation configurations for the
synthesis of diphenyl carbonate article.
The process intensification has become one of the main research areas in the chemical
engeneering, because it provides alternatives to develop and implement more efficient,
sustainable and safe processes [1]. The reactive distillation is a clear example of intensification
process, with this is possible to carry out the reaction and separation operations simultaneously in
a single device. Then, for this reason through the "Comparison of intensified reactive distillation
configurations for the synthesis of diphenyl carbonate" article, will check three very important
factors that do the reactive destilletion one of the most important adavances in the chemical
ingeneering area: Thermodynamics and econocmic aspects.
 Thermodynamic aspect:
The synthesis of diphenyl carbonate from dimethyl carbonate and phenyl acetate involves
homogenous catalyst tetra-n-butyl orthotitanate, the reaction has a two-step reaction that takes
place through formation of the intermediate, methyl phenyl carbonate. The first step is the
transesterification of dimethyl carbonate and phenyl acetate to the intermediate Methyl Phenyl
Carbonate and the by-product methyl acetate as in Ec. 88. There are two possible routes exist for
the second step: The transesterification of methyl phenyl carbonate and phenyl acetate to
diphenyl carbonate and methyl acetate (Ec. 89 or the disproportion of Methyl phenyl carbonate
yielding diphenyl carbonate and dimethyl carbonate as in Ec. 90:
𝐷𝑀𝐶 𝐴 𝑀 𝐶 𝑀𝐴 Ec. 88
𝑀 𝐶 𝐴 𝐷 𝐶 𝑀𝐴 Ec. 89
𝑀 𝐶 𝐷 𝐶 𝐷𝑀𝐶 Ec. 90
The overall reaction is defined:
𝐷𝑀𝐶 𝐴 𝐷 𝐶 𝑀𝐴 Ec. 91
The rate expressions for the reversible reactions of Ec. 88 and Ec. 90 are respectively as follows:
𝐶 𝐶 𝐶 𝐶 Ec. 92
𝐶 𝐶 𝐶 𝐶 Ec. 93
𝐶 𝐶 𝐶 Ec. 94
The kinetic constants of the three reversible reactions are related in Ec. 95:
Ec. 95
The main characteristic of the thermodynamic system consisting of five components, diphenyl
carbonate, methyl phenyl carbonate, phenyl acetate, dimethyl acetate and methyl acetate;
“Comparison of intensified reactive distillation configurations for the synthesis of the diphenyl
carbonate” article concluded that experimentally that the equilibrium liquid-vapor can be fit with
the ideal model, due the boiling point temperature difference of any combination of two
components in the system is large enough. Therefore the mixture exhibits ideal behavior, which
can be represented by an ideal thermodynamic, so an ideal model can be suitable for the
estimation of the vapor-liquid equilibrium in this system.
 Economic aspect:
In reference to the second aspect, the economic, the "Comparison of the intensified
configurations of reactive distillation for the synthesis of diphenyl carbonate" article evaluated by
means of "Total annual cost" the different types of reactive destillation and conventional reactive
destillation. the evaluation of the configurations controllability through the singular value
decomposition and the condition number calculation. The evaluation of the controllability is
carried out after obtaining the reactive configurations with the minimum Total annual cost. The
implemented optimization procedure varied the designs parameters to minimize the Total annual
cost of Vapor recompression reactive distillation and Vapor recompression and thermally coupled
reactive distillation. For example, the number of total stages, the number of stages in the
rectifying, the stripping, and reactive zone, and the feed location of each column among others.
The Total Annual Cost of each intensified reactive distillation configuration has been estimated
as indicated in Ec. 96:
𝐴𝐶 𝑎 𝑛 Ec. 96
Next, Table 3 is presented, where Total Annual Cost is presented, energy and condition number
of reactive distillation configurations to synthesize dipheyl carbonate.
Tabla 3. TAC, energy consumption and condition number of reactive distillation configurations
to synthesize DPC.
Configuration Total annual cost ($/y) Energy consumption (KW) Condition number
CRD 899,317.82 945.08 2179.96
TCRD 786,435.71 794.8 45.32
VRRD 1,035,794.6 766.94 284.17
VTCR 887,478.64 653.7 164.5
Analysis: as evidenced in the description and comparison made previously of different types of
reactive distillation configurations, it was found that the main advantages in this intensification
process point to the costs involved in the operation of the process, that is, mainly to reach a Total
annual cost, by modifying all the available variables, such as: process operation variables, reactor
construction material, design specifications, etc.
Bibliografía:
-Contreras-Zarazúa, G., Vázquez-Castillo, J. A., Ramírez-Márquez, C., Pontis, G. A., Segovia-

Hernández, J. G., & Alcántara-Ávila, J. R. (2017). Comparison of intensified reactive distillation
configurations for the synthesis of diphenyl carbonate. Energy, 135, 637-649.
- Fogler H. Scott. 2008. Elementos de ingeniería de las reacciones químicas. 4th. Edición.,
MEXICO.
-Villa, A. L. (2018). Notas de clase curso teórico de ingeniería de las reacciones químicas.
Departamento de Ingeniería química, Universidad de Antioquia. Medellín.

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UNIVERSIDAD DE ANTIOQUIA

Facultad de Ingeniería Fecha:

THIRD INGENIERÍA DE LAS REACCIONES QUÍMICAS HOMEWORK

Is to be carried out isothermally in a combination of reactors, Figure 1.

Figure 1. Diagram of reaction process.

Volumes of the reactors:

Expressing the reaction speed in terms of the conversion:

Replacing in the Eq. 1:

The conversion will then be:

Mass balance in Mixer 1:

Mass balance in Mixer 2:

Mass balance in Mixer 3:

Mass balance for each reactor:

From the previous balances, we then have to:

Replacing Eq. 07, (13) and Eq. 14 in Eq. 06:

Replacing Eq. 09, Eq. 15 and Eq. 16 in Eq. 08:

Replacing Eq. 07, Eq. 09 and Eq. 11 in Eq. 10:

Design equations for each reactor

from Eq. 03 it has to:

Replacing Eq. 20 in Eq. 19:

R2: reactor PFR

from Eq. 03 it has to:

Replacing Eq. 23) into Eq. 22:

Integrating Eq. 24:

R3: reactor CSTR

From Eq. 03 it has to:

Replacing Eq. 27 into Eq. 26:

R4: reactor PFR

From Eq. 03 it has to:

Integrating Eq. 30:

R5: reactor CSTR

Table 1. Variables data.

The result obtained is:

FA7 = 8,089 mol/min

Figure 2. Problem’s Solution at Excel

2. Alkylated cyclohexanols as 2-methylcyclohexanone are important intermediates in the

Where the global reaction speed is expressed as follows:

The rate of disappearance with respect to the reactive limit (o-cresol).

Where the stoichiometric coefficient of reagent A is -1.

By ideal gas the following expression is obtained for the pressure of B.

Figure 4. Approach algorithm in Matlab software.

The results obtained from the algorithm are the following:

Figure 5. Ratio of catalyst weight to reaction rate.

Figure 6. Ratio of catalyst weight to concentration

Figure 7. Approach algorithm in Matlab software.

The results of the algorithm are the following:

Figure 8. Ratio of catalyst weight to pressure.

Figure 9. Ratio of catalyst weight to concentration.

Figure 10. Ratio of catalyst weight to reaction rate.

The algorithm used to solve the equations is the following:

Figure 11. Approach algorithm in Matlab software.

Figure 12. Approach algorithm in Matlab software.

Figure 13. Ratio of catalyst weight to conversion.

Figure 14. Ratio of catalyst weight to pressure.

Figure 15. Ratio of catalyst weight to concentration.

Figure 16. Ratio of catalyst weight to reaction rate.

From the equation Eq. 66 for turbulent flow we have:

Finally, the diameter ratio is determined as follows:

For this, different diameter relationships are used where = 0.027

Figure 17. Approach algorithm in Matlab software

The results are shown below:

Figure 18. Ratio of conversion to alpha 2.

Figure 19. Ratio of pressure to alpha 2.

3. Consider the conversion of A into B in aqueous solution represented with Equation: