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Running Problems

Exercise Problems
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Running Problems

Exercise Problems
Copyright
© © All Rights Reserved
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CL605: Advanced reaction engineering

Running set of Problems…. (Last updated: 8 Aug 2024)

(This page will be updated from time to time, and students are expected to practice these and
also other problems from the textbook exercises. Data for some problems are provided in
coding-friendly format. While solution to these problems can be arrived at otherwise (say graph
paper), it is strongly encouraged to write simple programs (in the language of your choice) to
find the solution to these problems.)

Problems
1. Consider a reaction 𝑎𝐴 + 𝑏𝐵 + 𝑐𝐶 + …→𝑟𝑅 + 𝑠𝑆 + … + 𝑖𝑛𝑒𝑟𝑡𝑠 conducted in a vessel. If
the stoichiometry is known, find the relationship between the instantaneous partial pressure of
different species in the vessel and the total pressure. Assume a certain initial total pressure of
π0 and certain feed moles for each of the species participating in the reaction.
(See Levenspiel Chap 3 for solution.)

2. The reversible gas-phase decomposition of nitrogen tetroxide 𝑁2𝑂4, to nitrogen dioxide 𝑁𝑂2,
is 𝑁2𝑂4⇄2𝑁𝑂2 is to be carried out at constant temperature. The feed consists of pure 𝑁2𝑂4 at
340 𝐾 and 202. 6 𝑘𝑃𝑎 (2 𝑎𝑡𝑚). The concentration equilibrium constant, 𝐾𝑐, at 340 𝐾 is
3
0. 1 𝑚𝑜𝑙/𝑑𝑚 . Calculate the equilibrium conversion of 𝑁2𝑂4 in a
(a) Constant-volume batch reactor
(b) Varying volume flow reactor
(c) Assuming elementary reaction, express rate solely in terms of the conversion for (i)
constant-volume batch reactor, (ii) varying volume flow reactor

1 3
3.The gas-phase reaction 2
𝑁2 + 2
𝐻2→𝑁𝐻3 is to be carried out isothermally in a flow
𝑜
reactor. The molar feed is 50% 𝐻2 and 50% 𝑁2, at a pressure of 16. 4 𝑎𝑡𝑚 and 227 𝐶.
(a) Construct a complete stoichiometric table.
(b) Find 𝐶𝐴0, δ, ϵ .
(c) Estimate the concentrations of ammonia and hydrogen when conversion of 𝐻2 is 60%.
4. Calculate the equilibrium conversion and concentrations for the liquid-phase reaction
3 3
𝐴 + 𝐵⇄𝐶 with 𝐶𝐴0 = 𝐶𝐵0 = 2 𝑚𝑜𝑙/𝑑𝑚 and 𝐾𝐶 = 10 𝑑𝑚 /𝑚𝑜𝑙.
5. Gaseous species A is converted into products. Feed has pure A at 830𝑘𝑃𝑎 (8. 2 𝑎𝑡𝑚)
entering at a volumetric flow rate of 2 𝑑𝑚3/𝑠 at 500 𝐾. Gas constant
𝑅 = 8. 314 𝑑𝑚3𝑘𝑃𝑎/𝑚𝑜𝑙 𝐾.
𝑋 0 0. 1 0. 2 0. 4 0. 6 0. 7 0. 8
0. 45
− 𝑟𝐴 𝑚𝑜𝑙/𝑠. 𝑚3 0. 37 0. 3 0. 195 0. 113 0. 079 0. 05
%%Data in Matlab format
x=[0 0.1 0.2 0.4 0.6 0.7 0.8]; % conversion
minus_rA=[0.45 0.37 0.3 0.195 0.113 0.079 0.05]; % mol/s/m3
Find the volume of the reactor(s) if the reaction is conducted in
(a) CSTR
(b) PFR
(c) Two CSTRs in series with 40 % conversion in the first reactor
(d) Six CSTRs in series with conversion in each of them as specified in the table above

Identify which reactor is the best. Use numerical integration (say Trapezoidal rule (trapz in
Matlab)) wherever necessary.

(Ans: (a) 4.01 dm3; (b) 2.19 dm3; (d) 6 MFRs 2.66 dm3)

5) Consider a gas-phase reaction A + 3B → 2D where density changes are permitted. The


reaction is conducted in a plug flow reactor. Assume that the total pressure and temperature
are not constant. Assume that species A is the reference species and MD is the molar ratio of
species D and species A in the feed.
a) Express the concentration of D at any location in the reactor in terms of conversion.
b) Starting from first principles, derive a PFR model for finding the concentration profile of D.
Define all quantities used and explain clearly how the derived will result in finding the
concentration profile of D.

(Solution method: (a) choose the appropriate ref. Species. incorporate volume expansion in the
relation between conc and conv . (b) write the rate balance and from the PFR model. Assume
elementary reaction.)

6) For the integral method of analysis, the rate equation of a unimolecular irreversible reaction
A → pdts can be written in the integral form


Assume polynomial type rate-law and a certain order of a reaction. If the assumed order is
incorrect, then it is known that a plot of η(XA) vs t, where η(XA) estimated from actual
experimental data, can reveal the same. Assume η(XA) may be estimated graphically. If the
assumed order is incorrect, the four possible relative placement of the experimental data with
respect to the linear fit is as shown in Figs A, B, C and D. If the assumed order for the
postulation is greater than the actual order of the reaction, which of these four figures correctly
captures the relative placement? Explain the basis for the chosen option.
(solution methodology: assess the sensitivity of the reaction rate wrt conc. And how

7) Liquid A decomposes by first-order kinetics. In a batch reactor 50% of A is converted in a


5-minute run.
a) Write the batch reactor model for this system.
b) What is the time (in mins) taken to reach 75% conversion.

8)

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