ChE 101 - Chemical Reaction Engineering

Winter 2016
Homework #2
Due 19 Jan 2016 at 5 pm in Kevin Yangs mailbox.

Read Schmidt, Chapters 3.1-3.9

NOTE: Please list all of your assumptions and cite any external sources used when
solving each problem.

1. Computation Problem of the Week: Variable Density CSTRs and PFRs

This weeks computational problem is designed to investigate the differences between our
two primary ideal reactors: continuously-stirred tank reactors (CSTRs) and plug-flow
reactors (PFRs). Additionally, we will look at how variable density affects conversion
rates. The reaction we will investigate the isomerization of n-butane into isobutane,
which is primarily used in aerosols and refrigerants. Although this reaction typically
takes place with a catalyst such as NIP-66 catalyst, we will neglect the presence of the
catalyst in this problem. For this problem consider the kinetics of the isomerization to
be irreversible and first-order.

nbutane isobutane
(a) Beginning with a mass-balance on an ideal, isothermal steady-state CSTR at T=500
K, P = 10 atm, calculate and plot (semilog) the conversion of the following systems
for k = 0.01, 0.1, 1, 10, 100. Please define = vV0 .
i. Constant density
ii. Variable density ideal gas
iii. Variable density van der Waals gas. For this system, please neglect the binary
interaction term kij . Recall that for a binary system, the van der Waals coeffi-

cients are given by : amix = y1 a21 + y2 a12 + y2 a2 , a12 = a1 a2 , bmix = y1 b1 + y2 b2 .
The van der Waals coefficients are given below.

a [L2 kPa/mol2 ] b [L/mol]

n-Butane 1466.2 0.1226
isobutane 1304.1 0.1142
(b) Beginning with a mass-balance on an ideal, isothermal PFR at T = 500 K, P =
10 atm, calculate and plot (semilog) the conversion of the following systems for k
k = 0.01, 0.1, 1, 10, 100. Please define = vV0 .
i. Constant density
ii. Variable density ideal gas
iii. Variable density van der Waals gas. For this system, please neglect the binary
interaction term kij . (Hint: look into Eulers method and choose small enough
length steps to be confident in your answer).
 (c) Comment on the magnitude of the impact of variable density and in which situa-
tions we would expect greater impact. Additionally, comment on the differences in
conversion between a CSTR and a PFR. Under what conditions would we expect
each reactor to be superior (higher conversion)?

2. The irreversible aqueous reaction

A B
gave 80% conversion in a batch reactor at 30 C in 10 min and required 3 min for the
same conversion at 40 C. Assume first-order kinetics.
(a) What is the activation energy for this reaction?
(b) At what temperature can 90% conversion be obtained in 1 minute?
(c) Find the rate coefficient k at the temperature you found in part b.
(d) Find the reaction times required for 99% conversion at 40 and 50 C.
(e) Find the temperature to obtain 99% conversion in a time of 30 seconds.
(f) Repeat part d assuming second-order kinetics with CA0 = 1 mole/L.

3. Consider the first-order, irreversible, gas-phase reaction

A 2B

At time t = 0, a 10 L isobaric batch reactor contains pure A at 2.3 atm. 15 minutes

later, the batch reactor has a volume of 16 L. If a constant volume batch reactor is filled
with 1.8 atm of pure A, after how much time will its pressure be 2.5 atm? (You may
assume that all species are ideal gases and that all processes are isothermal.)

4. An ester in aqueous solution is to be saponified in a CSTR. Batch experiments showed

that the reaction is first-order and irreversible, and 50% reaction occurred in 8 min at
the temperature required.
(a) What reactor volume is required to process 100 moles/h of 4 molar feed to 95%
conversion?
(b) Find the conversion in a CSTR with half the volume you calculated in part a.
(c) What flow rate would be required to produce 100 moles/h at 90% conversion using
the reactor from part a?

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