CN2105 Reaction Engineering

2022-23 Semester 2 – Assignment 6

Homework
1. A and B are in equilibrium according to the exothermic reversible reaction:
A⇌B rA = −k2cA + k−2cB
R is introduced into the reaction mixture to form a useful product P:
A + R → P rP = k1cAcR
(a) Show that the introduction of R in large excess renders the thermodynamic equilibrium
between A and B impossible.
(b) If R is only introduced in moderation, how should the reactor be operated to increase
the yield of P? Which of the following three temperature schemes will you recommend
and why?
(i) A temperature profile that increases linearly with reactor length
(ii) A temperature profile that decreases linearly with reactor length
(iii) Isothermal operation at the highest possible temperature

2. [OL 9.11] Consider the following first order reactions:

k1 k3
A→ R→ S (desired)
k2 k4
→

T→U
−6000/T −4000/T
9
where k1 = 10 e , k2 = 10 e7
, k3 = 108 e−9000/T and k4 = 1012 e−12000/T.
The reactions are to be run in two CSTRs in series anywhere between 10 and 90°C. If the
reactors may be kept at different temperatures, what should these temperatures be for
maximum overall selectivity of S? Find this overall selectivity.
Ans: 0.23

3. Use the Non-Isothermal Reactors function of the ReactorDesign App to solve this
problem. In your submission, attach screenshots of the solution process using the App.
Consider the first-order reaction A → products conducted under adiabatic conditions
(external heat proportionality constant = 0) in a continuous manner with a feed of cA0 = 1
mol/L. The target conversion is 50%. Since this reaction is irreversible, the value of the
reverse pre-exponential factor (available under Advanced Settings) should be set to zero.
Leave other parameters at their default values, unless otherwise stated subsequently.
(a) If the reaction is exothermic with ΔH = −10000 kJ mol−1, which of the four reactor
configurations gives the optimal (smallest) space time? Can you explain why? CSTR
with τ = 0.823 s
(b) If the reaction is endothermic with ΔH = +10000 kJ mol−1, which of the four reactor
configurations gives the optimal (smallest) space time? Can you explain why? PFR
with τ = 178 s
(c) How do the optimal space times in (a) and (b) compare? Can you explain why
qualitatively?

1
Extra Practice
4. The aqueous reactions occur with elementary second order kinetics:
A+B→R+T
R+B→S+T
Using the following data, find the optimum temperature of operation of a plug flow reactor,
and the corresponding maximum yield of R. R is the desirable product, and any
temperature between 5 and 65°C may be used.
Data: Equimolar quantities of A and B were mixed and allowed to rest in beakers at
different temperatures. When all B was consumed, analysis showed that 75% of A had
reacted at 25°C while 60% of A had reacted at 45°C.
Ans: 0.8

5. [OL 10.15] R is required to be produced from A in a batch reactor with a run time no
longer than 2 hours and at a temperature somewhere between 5 and 90°C. The kinetics of
this liquid phase first order reaction system is as follows:
k1 k2
A→R→S
where k1 = 30e−20000/RT min−1 and k2 = 1.9e−15000/RT min−1.
Determine the optimum temperature which yield cRmax, the run time to use and the
corresponding conversion of A to R.
Ans: 0.808

6. The first order irreversible gas phase reaction A → B + C is carried out adiabatically in a
PFR packed with a catalyst. Pure A enters the reactor at the volumetric flow rate of 20 L/s
at a pressure of 10 atm and a temperature of 450 K. The maximum catalyst weight that can
be packed into the PFR is 50 kg. With the aid of an equation solver (e.g. MATLAB), plot
the conversion and temperature down the PFR length until 80% conversion is reached. The
values of the parameters are provided below:
cpA = 40 J/mol; cpB = 25 J/mol; cpC = 15 J/mol;
ΔHofA = −70 kJ/mol; ΔHofB = −50 kJ/mol; ΔHofC = −40 kJ/mol; (referenced to 273 K)
𝐸 1 1
𝑘 = 0.133𝑒 𝑅(273−𝑇) L kg −1 s −1 ; E = 31.4 kJ/mol

7. The reaction A ⇌ B + C is carried out in a batch reactor at constant temperature and

pressure. While A and B are gases, C is condensable as a liquid at the reaction temperature.
(a) How will you adjust the processing conditions (T, P, reaction time and reactant
amounts) if the objective is to produce as much of B as possible from A?
(b) How will you adjust the processing conditions to keep the reactor dry all the time?

8. Recommend, with reasons, the contacting scheme and temperature profile that will
maximise the overall selectivity of R in the following competing reactions:

2
 A+B→R r1 = k1cAcB Ea1 < Ea2
A→S r2 = k2cA2

9. Consider the following scheme of first order reactions:

k1 k2
A→R→S
k3

→
T
where k1 = 10e−3500/T s−1, k2 = 1012 e−10500/T s−1 and k3 = 108 e−7000/T s−1.
The feed consists of A and inert with cA0 = 1 mol/L, and the operating temperature is
between 7 and 77°C.
(a) What is the maximum amount of S obtainable per mole of A charged to the reactor,
and at what temperature and in what type of reactor is this obtained?
(b) Find the minimum holding time required to produce 99% of cSmax.
Ans: (a) 0.31 mol/L (b) 10200 s
10. [OL 10.5] The violent oxidation of xylene simply produces CO2 and H2O. However, when
oxidation is gentle and carefully controlled, it can also produce useful quantities of
valuable phthalic anhydride as shown below. Because of the danger of explosion, the
fraction of xylene in the reacting mixture must be kept below 1%. Naturally, the problem
in the process is to obtain a favourable product distribution.
(a) In a PFR, what values of the three activation energies (for steps 1, 2 and 3, respectively)
would require that we operate at the maximum allowable temperature?
(b) Under what circumstances should the PFR have a falling temperature progression?