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Assignment 5

This document contains 11 homework problems related to reaction engineering. The problems cover topics like reaction stoichiometry, kinetics, reactor selection and sizing, and numerical solutions to reaction systems.

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Yi Hong Low
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247 views5 pages

Assignment 5

This document contains 11 homework problems related to reaction engineering. The problems cover topics like reaction stoichiometry, kinetics, reactor selection and sizing, and numerical solutions to reaction systems.

Uploaded by

Yi Hong Low
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd
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CN2105 Reaction Engineering

2022-23 Semester 2 – Assignment 5


Homework
1. [OL 7.20-7.22 Modified] The stoichiometry of a liquid phase decomposition reaction is
known to be:
A → R (desired)
A → S (unwanted)
The following data were collected using a CSTR from a series of steady-state flow
experiments with a feed of cA0 = 100 a.u. and cR0 = cS0 = 0.
cA (a.u.) 90 80 70 60 50 40 30 20 10 0
cR (a.u.) 7 13 18 22 25 27 28 28 27 25
(a) Explain how these measurements were made.
(b) Further experiments indicated that concentrations cR and cS have no effect on the
reaction kinetics. From the shape of the instantaneous selectivity curve φR/A,
recommend the reactor to use and calculate the maximum yield of R for a feed with
cA0 = 80 a.u.
𝑐R
Hint: (b) for CSTR, instantaneous selectivity φR/A = overall selectivity ΦR/A = 𝑐 −𝑐
A0 A
Ans: (b) 0.45

2. Equimolar quantities of solutions of A, B and D are fed continuously to a CSTR where


they react according to two elementary reactions:
A+D→R k1
B+D→S k2
𝑘
where 𝑘2 = 0.2.
1
(a) If 50% of incoming A is consumed, determine what fraction of the products (R + S)
formed is R.
(b) If 50% of incoming D is consumed, determine what fraction of the products (R + S)
formed is R.
𝑟A 𝑘1 𝑐 A
Hint: 1) in CSTR, fraction of R = 𝑟 =𝑘 2) use mole balance equation, find
A +𝑟B 1 𝑐A +𝑘2 𝑐B
the relationship between cA and cB; 3) for (b), use stoichiometric table to find correlations
between cD, cA and cB
Ans: (a) 0.75 (b) 0.775

3. [OL 8.21 Modified] Chemical A reacts to form R, S and T according to the following
reaction scheme. In this scheme, all reactions are first order:
k1 k2
A→R→S
→

k3
T
−1 −1 −1
where k1 = 6 h , k2 = 3 h and k3 = 1 h .
If the feed is a solution containing A without any R, S and T:

1
(a) What reactor (type and size) should be used to maximise the yield of R? What is the
𝑐 𝑐 𝑐 𝑐
product composition (𝑐 A , 𝑐 R , 𝑐 S and 𝑐 T ) from this reactor?
A0 A0 A0 A0
(b) What reactor (type and size) should be used to achieve 90% of the maximum yield of
S?
Hint: For a), combine the two side reactions R to S and R to T into a hypothetical reaction
R to X. It becomes a simple A to R to X series reaction network. Then, apply the equations
𝑐
provided in lecture notes to get Rmax .
𝑐 A0
For b), 1) since molar flow rate is unknown, we will not be able to determine V, but only
𝜏; 2) S is a final product, follow the selection rule of single-reaction (positive order→PFR;
negative order→CSTR); 3) you need to solve a cubic equation when working out this part:
https://www.calculatorsoup.com/calculators/algebra/cubicequation.php

Ans: (a) 0.203 h (b) 0.815 h

4. The concentrations of reactant A as well as products R and S were monitored continuously


in a batch reactor. The following two figures show the concentration-time curves and the
instantaneous selectivity curves (φR and φS).

(a) Which of the following reaction systems is consistent with the experimental data?
(i) A → R + S rA = −kAcAm (m > 0)
(ii) A → R → S rA = −kAcAm and rS = kScRn (m, n > 0)
(iii) A → R and A → S rR = kRcAm and rS = kScAn (m, n > 0)
(b) Describe how the instantaneous selectivity curves are obtained from the raw data
shown in the concentration-time curves and, if applicable, what is the relative
magnitude of the reaction orders suggested by the given data?
(c) If R is the desired product, recommend with reasons the most suitable type of reactor
for the reactions.
(d) It is found that the instantaneous selectivity of R, φR increases with temperature. What
can you deduce from this information on the reaction rate constants?

2
Extra Practice
5. [Exam 2012] In the following elementary reactions, P* is a reactive radical which reacts
with M to form a valuable product Q. However, P* can also be easily annihilated by
reaction (2):
P* + M → Q (1)
P* + P* → T (2)
What will happen if the following equilibrium reaction is added to the reaction system?
[D]
P* + Z ⇌ D 𝐾 = [P∗][Z] ≫ 1

6. [Make-up Quiz 2016] Consider the following reactions which can be run between 900
and 1200 K, where S is the compound of interest:

The following Arrhenius relations are known.


k1 = k2 = 2 × 1013 exp(−19124/T) [h−1]
k3 = 8.15 × 1017 exp(−25138/T) [h−1]
k4 = 2.1 × 10 exp(−10055/T)
5
[h−1]
(a) Write down the mole balance equations for all species in a batch reactor.
(b) Suggest the operating temperature that will maximise the yield of S.
(c) What can you say about the concentration of R at any time?
(d) Present an isothermal reactor design (size and type) that maximises the yield of S.
(e) What is the value of the corresponding overall selectivity?
Ans: (d) 2.4 × 10−6 h (e) ~1

7. [OL 7.7] A decomposes to R and S in an aqueous phase reaction with the following
kinetics:
A → R (wanted) R1 = k1cA2
A → 2S (unwanted) R2 = k2cA
(a) Derive the instantaneous selectivity function φR/A.
(b) Currently, a feed with cA0 = 1.0 mol/L without any R and S enters a CSTR with τ =
2.5 min and leaves with the composition cA = 0.4 mol/L, cR = 0.2 mol/L and cS =
0.8 mol/L. What is the effect of adding another CSTR of the same size in series? Will
the overall selectivity of R be improved? If not, suggest a means to improve the
situation.

8. [OL 8.13] Consider the following first order liquid phase decompositions with rate
constants (in the same units) as shown:
40 0.1 0.02 10
A→R→S A→R→S
→

→
→

10 0.2 0.01 20
T→U T→U

3
If cS = 0.2cA0 in the exit stream of a PFR, for each of the above schemes, what can be said
about the concentrations of the other reactor components, A, R, T and U, in the exit stream?
Ans: cA = 0, cR = 0.2cA0, cT = 0.2cA0, cU = 0.4cA0; cA = 0.1cA0, cR = 0, cT = 0.3cA0, cU =
0.4cA0

9. [OL 7.15] Consider the parallel decomposition of A of different orders:


A→R rR = kR
A → S (desired) rS = kScA
A→T rT = kTcA2
where kR = 1 mol L−1 min−1, kS = 2 min−1 and kT = 1 mol−1 L min−1.
Given that cA0 = 4 mol/L, determine the concentration of the desired product (S) when the
maximum yield is obtained in:
(a) a PFR.
(b) a CSTR.
Ans: (a) 1.62 mol/L (b) 1.6 mol/L

10. [OL 7.23] When aqueous A and B are brought together, they react in two possible ways:
A+B→R rR = kRcA
A+B→S rS = kScB
−1 −1
where kR = 50 h and kS = 100 h .
Find the space time of the CSTR needed and the R/S ratio produced for 90% conversion
of an equimolar feed of cA0 = cB0 = 0.03 mol/L.
Ans: 0.06 h, 0.5

11. Consider the following series-parallel reactions:


A+B→R R1 = k1cAcB
R+B→S R2 = k2cRcB
The concentration of the desired product R may be maximised by using a semi-batch
reactor, where A is initially present in the reactor while B is fed through the inlet. Write
down the ODEs describing the variations of concentrations of A, B, R and S as well as
their initial conditions. For two different values of the inlet flow rate, solve the set of
simultaneous ODEs numerically using MATLAB to obtain the concentration profiles. In
𝑐
each case, determine the value of 𝑐R when the concentration of R is maximum. The values
S
of the parameters are provided below:
k1 = 1 mol−1 dm3 s−1; k2 = 1 mol−1 dm3 s−1; V0 = 10 dm3;
v0 = 0.1 dm3 s−1 (Case 1), 0.5 dm3 s−1 (Case 2);
cA0 (initial concentration of A) = 1 mol dm−3; cB0 (inlet concentration of B) = 1 mol dm−3

4
Optional. No need to do it if you do not know how to use MATLAB.
Ans: Case 1: 2.44; Case 2: 2.47

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