CHAPTER 6 SELF TEST

Practice 1. What Type of Reaction is Taking Place?

Three species were found in a CSTR. The following concentration data were obtained as
a function of temperature. The initial concentration of the single reactant, A, was the
same at all temperatures. Both B and C are products.
CA0 = 2moles/dm3
Run
T (oC)
CA (mole/dm3) CB (mole/dm3) CC (mole/dm3)
1
30
1.7
0.01
0.29
2
50
1.4
0.03
0.57
3
70
1.0
0.1
0.90
4
100
0.5
1.25
1.25
5
120
0.1
1.80
0.1
6
130
0.01
1.98
0.01
Explain the above data, what type of reaction is taking place, independent, complex,
series or parallel?
Solution
Observations
At low temperatures
1) Little conversion of A
2) Little B formed
3) Mostly C formed (but not too much because of the low conversion
15 to 30% - of A)
At high temperatures
1) Virtually complete conversion of A
2) Mostly B formed

Data suggest 2 reactions

Reaction (1) is dominant at high temperatures

with

Reaction (2) is dominant at low temperatures

Practice 2

Maximizing the Selectivity - Parallel Reactions

Determine the instantaneous selectivity, SD/U, for the liquid phase reactions:

Sketch the selectivity as a function of the concentration of A. Is there an optimum and if so

what is it?

Solution

Finding the optimum concentration:

Use CSTR with exit concentration C*A

Practice 3

Finding the Selectivity

For the elementary reactions:

with k1=.1 s-1 and k2=.2 s-1 with CAO= 2 mol/dm3. Plot the concentration of B and selectivity
of B to C as a function of space time in a CSTR.

Solution

CSTR
A. Balance on Species A

B. Balance on Species B

C. Balance on Species C

The space time, , is the minimum value of V (i.e. ) at which there is an acceptable
molar flow rate of the desired product B from the CSTR.

Practice 4 Concentration-Time Trajectories

1). The following concentration-time trajectories were observed in a batch reactor

Which of the following reaction pathways best describes the data:

Answer
Choice B is the answer. Choices A and C are incorrect because they show species B eventually consumed, which is
clearly not the case.

2). Sketch the concentration-time trajectory for the reaction:

Answer

(1) B virtually consumed so no more D can be produced in reaction 2.

(2) Rates of Consumption of A and Ba are virtually the same.
(3) Rate of consumption of B greater than that of A owing to Reaction 2.
Below is the polymath code typed in to produce the graph above.

Practice 5 Writing Net Rates of Formation

The reactions:

are elementary. Write the net rates of formation for A, B, C and D.

Solution
A.

B.

C.

D.

These net rates of reaction are now coupled with the appropriate mole balance of A, B, C,
and D and solved using a numerical software package.
For example for a PFR:

Problem 6 Write F~v relationships

Before carrying out any calculations, make a sketch as to what you expect the molar
flow rate profiles to look like

Solution
A is consumed in reactions 1 and 2, so FA will steadily decrease
B is consumed in reaction 1, and once A is consumed, it will no longer be able to react and

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the flow rate will remain constant

C is produced in reaction 1, consumed in reaction 2, and therefore the molar flow rate of C
will go through a maximum will also no longer be consumed once A is used up
D will be produced once C is formed and will continue to increase until A is consumed

You may want to solve for these profiles quantitatively by using Polymath.

Problem 7 Correct the wrong solutions for a given problem

Problem
Consider the elementary gas phase reactions

Set up the equations to calculate the concentration of each species as a function of time in a
constant volume batch reactor. The reaction is carried out isothermally.

Solution
A combined mole balance(1) and rate laws(2)

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(3) Stoichiometry

at t = 0 then NA = NA0 and

These equations will be typed into Polymath.
What five things are wrong with each of the first three steps of the multiple reaction
algorithm?

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Answer
(1)Mole Balance: V missing on right hand side of each of the combined mole balance and
rate law equations (1) through (4).
(2)Stoiciometry: The gas reaction occurs in a constant volume rigid container, V = V0.
Therefore the equations [5) and (6)] for the concentration of the reacting species are not
correct

(3)Rate laws, relative rates, and net rates: The net rate of reaction is not correct for B,C, and
D, i.e., equations (2), (3), and (4).

Correct Solutions
Since V = V0

r1 A k1 AC A

(1) A 2B
r1 A k 2 AC B2

(2) 2B A

r2 B k 2 B CB2

(3) 2B 3C

(4) 2B D

r3 B k3 B C B2

Mole Balance
(1)

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(2)

(3)

(4)
Net Rates and Rate Laws
Net Rates
Species A

rA r1 A r1 A k1 A[C A

C B2
]
K1e

rB r1B 2r1 A r2 B r3 B

Species B

r1B r1 A

2 1

r1B 2r1 A

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rB 2k1 A[C A

C B2
] k3 B CB2 k4 B CB2
K1e

Species C

rC r3C

r3C r3 B

3 2

Species D
rD r4 D

r4 D r4 B

1
2

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Summary

Stoichiometry
The pressure inside the vessel is

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