ECH 3704 REACTION KINETICS & REACTOR DESIGN

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Topic: Multiple reaction Date:

6.1 Selectivity and yield

1.
Parallel reaction

Consider the following system of gas-phase reactions:

B is the desired product, and X and Y are foul pollutants that are expensive to get rid of.
The specific reaction rates are at 27

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C. The reaction system is to be operated at 27 

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C and 4 atm. Pure A enters the
system at a volumetric flow rate of 10 dm3/min. marks
a) Sketch the instantaneous selectivities as a function of the
concentration of CA.
b) Consider a series of reactors. What should be the volume of the first
reactor?
c) What are the effluent concentrations of A, B, X, and Y from the first
reactor?
d) What is the conversion of A in the first reactor?
e) If 99% conversion of A is desired, what reaction scheme and reactor
sizes should you use to maximize SB/XY?
f) Suppose that E1 20,000 cal/mol, E2 10,000 cal/mol, and E3 30,000
cal/mol. What temperature would you recommend for a single CSTR
with a space time of 10 min and an entering concentration of A of
0.1 mol/dm3?
g) If you could vary the pressure between 1 and 100 atm, what
pressure would you choose?

2 Series reaction

The elementary liquid-phase series reaction

is carried out in a 500-dm3 batch reactor. The initial concentration of A

is 1.6 mol /dm3. The desired product is B, and separation of the
undesired product C is very difficult and costly. Because the reaction is
carried out at a relatively high temperature, the reaction is easily
quenched.

a Plot and analyze the concentrations of A, B, and C as a function of time. (3)

Assume that each reaction is irreversible, with k1 = 0.4 h–1 and k2 = 0.01
h–1

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b Plot and analyze the concentrations of A, B, and C as a function of time (3)
when the first reaction is reversible, with k–1 = 0.3 h–1.

c Plot and analyze the concentrations of A, B, and C as a function of time (4)

for the case where both reactions are reversible, with k–2 = 0.005 h–1.

d Compare (a), (b), and (c) and describe what you find. (3)

e Vary k1, k2, k-1, and k-2. (4)

Explain the consequence of k1 > 100 and k2 <0.1 with k-1 = k-2 = 0 and
with k-2=1, k-1=0, and k-2= 0.25.

Reactor selection and operating conditions

For each of the following sets of reactions, describe your reactor system and conditions to
maximize the selectivity to D. Make sketches where necessary to support your choices.
The rates are in (mol/dm3•s), and concentrations are in (mol/dm3).

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Computer Simulations and Experiments

4. By using Example 8-1: Trambouze Reactions from text book
(a) Wolfram
i. Vary the parameters k1, k2, k3, and υ0 to learn their effects on conversion and
selectivity in both a CSTR and a PFR.
ii. Write a conclusion about your experiments.
(b) Polymath
i. What would have been the selectivity, SB/XY, and conversion, X, if the reaction
had been carried out in a single PFR with the same volume as the CSTR?
ii. Recalling CA0 = P0RT, how would your answers change if the pressure were
increased by a factor of 100?