CH-5010: Chemical Reactor Theory

July – Nov. 2023

Assignment – 1
Due: Tuesday, 22nd August 2023

Instructions
• Please start each new problem on a fresh page
• Please submit a hard copy in class

Problem 1: Kinetics Experiments using Pressure Variations

Consider the gas-phase decomposition of di-t-butyl peroxide (DBP) to acetone and ethane:
(H! C)! C − O − O − C(CH! )! → 2(H! C)" CO + C" H#
Define 𝛿$ = ∑% 𝜈%$ as the net change in number of moles due to jth reaction. Let the reaction be
carried out in a constant volume reactor. The reaction progress can be monitored by monitoring the
change in pressure at constant temperature.
Let 𝑃 be the total pressure and 𝑃(0) be the total pressure at the initial time. Then,

1. Show that the extent of reaction can be obtained from total pressure as
𝑉 𝑃(𝑡) − 𝑃(0)
𝜉(𝑡) =
𝑅𝑇 𝛿

2. Show that the partial pressure for any species can be found as
𝜈%$
𝑝% = 𝑝%& + 7𝑃(𝑡) − 𝑃(0)8
𝛿$

3. Assume the reaction is first order irreversible reaction. The initial pressure is 5 bar and the
mixture contains 25% inert and 75% DBP. Compute the change of pressure with time.

Problem 2: Equilibrium
Consider isomerization of butene. Three isomers of butene, i.e., 1-butene (B), cis-2-butene
(C) and trans-2-butene (T), exist in the following equilibrium:

B
Kc3 Kc1
T C
Kc2

The equilibrium constants for the first two steps at 400 K are 𝐾'( = 4.30 and 𝐾'" = 2.15 at 500 K.

4. Compute the equilibrium constant 𝐾'!

5. Assuming we start with pure 1-butene at 1 atm and 500 K, what is the equilibrium concentration
of the mixture?

CH-5010: Chemical Reactor Theory

 CH-5010: Chemical Reactor Theory
July – Nov. 2023
6. The forward reaction rate constants for first-order reaction are: 𝑘( = 1 min)( , 𝑘" = 0.25 min)(
and 𝑘! = 2 min)( . Let’s say the reaction was carried out in a 2-liter CSTR. If pure B enters
CSTR at 1 atm and 400 K, with flowrate of 1 liter/min, write down the balances for CSTR.

7. Bonus (optional): Solve the above balances to find the steady state concentrations in CSTR.

Problem 3: Arrhenius Rate Law

An oxide catalyst is used to synthesize acetone from 2-propanol:
(CH3)2–CH-OH à (CH3)2–C=O + H2
(CH3)2–CH-OH à H3C-CH=CH2 + H2O
The second reaction is the undesired catalytic dehydration reaction that produces propylene.
Following is the data obtained from kinetic experiments:
T (ºC) 300 310 321 330 340
Rate acetone formation (µmol/gcat.s) 0.41 0.7 1.4 2.2 3.6
Selectivity to acetone (%) 92 86 81 81 81

8. From the data above, calculate the activation energy for both the reactions

Problem 4: Batch to Continuous Reactor for Potato Chips

If you step outside Velacheri gate, there is a chips/wafers shop which makes potato chips in a
batch process. The wat is filled with oil and heated to a desired temperature. Sliced potatoes are then
added to the hot oil. It is periodically stirred to ensure uniform mixing. After a sufficient amount of
time, the potato wafers are removed from this batch reactor.

9. Why do you think batch process is common in such “hot chips” shops?

10. As a chemical engineer, can you design a continuous process to scale up to 100 kg/hr operation?
Note that the temperature, residence time, etc. need to be similar to ensure the taste and quality.

CH-5010: Chemical Reactor Theory