An

elementary reversible liquid phase reaction is proposed to take place in a flow reactor. The
reaction goes as follows:

2 2

The reaction is to be carried out adiabatically under high pressure, and to be carried out at 400 K
with specific reaction rate constant, k is given as 35.1 m3/mol.s . The entering concentration of A
is given as 5 kmol/m3 and the entering flow rate is 75 kmol/hr. Other information is given as
follows:

() = 25

34 = 35 = 7 /
= 75.6 /
< = 5.8 60

Assume that 85% equilibrium is achievable in the reactor. Evaluate and propose the most
economical reactor arrangement to achieve 75% conversion of A. Calculate the reactor volume.
[18 marks]

Assume now the reaction is irreversible. What difference does it make to the reactor
arrangement?
[7 marks]


Suggestion to solve the problem

1. Identify whether it is
a. Reversible or irreversible? if reversible, rate law is not typical ra=kca2, it must
include both forward and backward reaction. How do you derive that?
b. Is it gas or liquid phase? If it is gas phase, you need to be careful, need to include
expansion term, , (how to calculate ?, do you remember?)
c. Is it isothermal or adiabatic? If adiabatic, the energy balance equation need to be
used:

EF

H 3I F

EF (M ( + 3 (

= 0

which finally would be in the form of = F + after you simplified it and

substitute all necessary information.
I.
Before you simplify in terms of T, check if you have to calculate a new
(M or is it given at the respective temperature. If it is not, then
you need to calculate it using the following formulas:
(M = (M ( + 3 (

II.

How about

H 3I F ? Do you have any inert coming in, then

you need to specify your for inert. Remember what is ?

2. Now, would you be able to derive the rate law for reversible (Clearly the above reaction
is reversible). What order is that? (keyword: elementary and rate constant unit)

3. What about the stoichiometry of this reaction?
a. Write your stoichiometry of Ca and Cb. CA= CA0(1-X), CB?
b. Combine the rate law and stoichiometry, youll get a new expression in terms of
rA.

4. Can you express your Xe in terms of Kc? What is Xe? How difference it is your Xe and X?
Please note that It is easy to calculate Xe for first order reversible reaction as you can get
Xe=Kc/1+Kc, but what about 2nd order? And what about if 2 + . Im very sure
youll get a different way to calculate your Xe. How about you try for both 2 2 and
2 +

5. Now, what is your reference rate constant, k and equilibrium constant, Kc. What are the
equations to be used to calculate your k and Kc as the temperature is changing?
6. You should have enough information to construct a table now, which is shown as below:
X
T
k
Kc
Xe
-rA
FA0/-rA

7. What X is to be chosen? Remember that youre required to calculate for up to X= 0.75, so
you required at least 5 set data points to ease your numerical method, and it should start
from X=0. So youll probably have X=0, X=0.15, X=0.3, X=0.45, X=0.6 and X=0.75 (thats 6
points! Should be fine J)
8. Once you use different X, youll get different T, and use that T to get your k and Kc. Use
your Kc to calculate your Xe (using equation you have derived in point no 4). And calculate
your ra, (using the derived equation from point no 3b).
9. Once you have your ra, then calculate Fa0/-ra and plot a Levenspiel plot Fa0/-ra versus
X. Should it be X or Xe? If it is X, then what is the function of Xe?
10. Calculate the area under the curve for PFR (using suitable numerical method), and CSTR
the rectangle area as usual.
11. Youll finally get the volume and be able to make a good comparison. Whats your
suggestion of the arrangement?
THE END.