Diseño de Procesos

Contact: Professor Javier Davila

Date: March 13, 2019

Design and selection of reaction and separation zones

NOTE: This assignment should be finished for the next Wednesday 14th March and it will be made

by groups.

1. Based on the article ”Kinetic modeling and sensitivity analysis of Acetone Butanol Ethanol pro-

duction” of the authors Shinto et al. (Journal of Biotechnology 131 (2007) 45 − 56) obtain the

concentration profile of all the compounds involved in the ABE fermentation. Use Matlab for this

point and according to the results:

• Obtain the concentration profile of all compounds involved in the kinetic model.

• What are the amounts of butanol, acetone, ethanol and CO2 at 5, 10, 20 and 60 hours?

2. A non-isotermic reactor of 0.01 m3 is used to carry out a reaction in vapor phase of cracking of

acetone (Endothermic reaction): CH3 COCH3 −→ CH2 CO + CH4 . The reactor uses a jacket and

the acetone enters at T0 = 1035 K and a pressure of P0 = 162 KP a. Obtain both, conversion and

temperature profiles using Matlab for solving balances as a function of the volume of the reactor.

What are the converion and temperature reached in the outlet of the reactor?. (Suggestion: Use a

Runge - Kutta for solving the differential equations).

Equations (1) and (2) are obtained for solving mass and energy balances of the system. The values

of constansts involved in the balances are showed below.

1 of 6
 dX −rA
= M ass Balance (1)
dV FA0

dT U a(Ta − T ) + rA 4 HR
= Energy Balance (2)
dV FA0 (CpA + X 4 Cp)

Volumetric flow: Q = 0.02 m3 /s

Heat transfer coefficient: U = 110 W/(m2 K)

Heat transfer area: a = 150 m2 /m3 de reactor

Temperature in the jacket: Ta = 1200 K

Energy activation: E = 11843 Kcal/Kmol

Preexponencial factor: K0 = 3.493x107 h−1

Constant of gases: R = 1.987 Kcal/(KmolK)

Other variables involved in the balances are:

Heat of reaction:

4HR = 80770 + 6.8(T − 298) − 5.75x10−3 (T 2 − 2982 ) − 1.27x10−6 (T 3 − 2983 ) (J/mol) (3)

Heat capacity of A, B y C

CpA = 26.63 + 0.183T − 45.86x10−6 T 2 (J/molK) (4)

CpB = 20.04 + 0.0945T − 30.95x10−6 T 2 (J/molK) (5)

CpC = 13.39 + 0.077T − 18.71x10−6 T 2 (J/molK) (6)

Reaction speed:

1 − X T0
−rA = kCA0 (7)
1+X T

3. For the next systems (See figure 1), obtain the isotherms, distillation regions, classification of sin-

gular points, residue curves and azeotropic information (Compositions and boiling temperatures)

for the ternary or quaternary diagrams in a qualitative way (Not using Aspen Plus).

Figure 1: Ternary maps.

4. Figure 1 shows the T − X − Y diagram for a binary system (A − B) at two different pressures

(P1 and P2 ). Propose a separation scheme using two distillation towers for obtaining A and B

completely separated where F corresponds to the initial feed. No other streams can leave from the

separations system (Not using Aspen Plus).

 Figure 2: Binary system.

5. Based on the ternary diagram showed in figure 2, the following information should be obtained:

• Residue curves, distillation regions, classification of singular points, subregions of distillation

for both, indirect and direct separations

• Propose a separation scheme using distillation columns as well as liquid liquid separators.

Isopropanol and water should be completely separated and no streams can leave from the

scheme except products (Isopropanol and water).

 Figure 3: Residue curves for a ternary map.

6. Based on the residue curves showed in the figure 2, propose a separation scheme using three (3)

distillation columns for separating compounds 1 and 3 completely at 100%.

 Figure 4: Residue curves for a ternary map.

Mandatory: All questions should be answered from a Chemical Engineering point of view and

each one of the points should describe the way in which the numbers were calculated as well as the

corresponding analysis. Matlab and Aspen Plus should be used.

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